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N,N-Diethyl-2-[(2-Thienylcarbonyl)amino]-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxamide , CAS No.301321-93-7

COA

Cas Number: 301321-93-7
Molecular Weight: 362.5
PubChem CID: 1190625

In stock

Item Number

N668612

Grouped product items
SKU	Size	Availability	Price	Qty
N668612-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
N668612-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

Basic Description

Synonyms	N,N-Diethyl-2-[(2-Thienylcarbonyl)amino]-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxamide \| N,N-diethyl-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide \| 2pg2 \| BAS 00486632 \| TimTec1_001033 \| Oprea1_074172 \| Oprea1_809

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thiophenes
    - Subclass Thiophene carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thiophenes
Subclass	Thiophene carboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Thiophene carboxamides
Alternative Parents	2-heteroaryl carboxamides Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	2-heteroaryl carboxamide - Thiophene carboxamide - Tertiary carboxylic acid amide - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

KIF11 Tchem Kinesin-like protein KIF11 (1 Activities)

Discover Target: KIF11

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

A549 (127892 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	N,N-diethyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
INCHI	InChI=1S/C18H22N2O2S2/c1-3-20(4-2)18(22)15-12-8-5-6-9-13(12)24-17(15)19-16(21)14-10-7-11-23-14/h7,10-11H,3-6,8-9H2,1-2H3,(H,19,21)
InChIKey	NZTHBWHANVWSRX-UHFFFAOYSA-N
Smiles	CCN(CC)C(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CS3
Isomeric SMILES	CCN(CC)C(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CS3
Molecular Weight	362.5
Reaxy-Rn	18621224
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18621224&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	362.500 g/mol
XLogP3	4.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	362.112 Da
Monoisotopic Mass	362.112 Da
Topological Polar Surface Area	106.000 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	470.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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