3-chloro-N-(2-cyanophenyl)-N-methylthiophene-2-carboxamide

C13H9ClN2OS — CID 80644312

IUPAC3-chloro-N-(2-cyanophenyl)-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1sccc1Cl)c1ccccc1C#N
InChIInChI=1S/C13H9ClN2OS/c1-16(11-5-3-2-4-9(11)8-15)13(17)12-10(14)6-7-18-12/h2-7H,1H3
InChIKeyZJUNCQZKCJUHKA-UHFFFAOYSA-N
MW276.75 g/mol
LogP3.55
Rot. Bonds2

About 3-chloro-N-(2-cyanophenyl)-N-methylthiophene-2-carboxamide

3-chloro-N-(2-cyanophenyl)-N-methylthiophene-2-carboxamide (PubChem CID 80644312) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is 3-chloro-N-(2-cyanophenyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyanophenyl)-N-methylthiophene-2-carboxamide
PubChem CID80644312
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name3-chloro-N-(2-cyanophenyl)-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1sccc1Cl)c1ccccc1C#N
InChIInChI=1S/C13H9ClN2OS/c1-16(11-5-3-2-4-9(11)8-15)13(17)12-10(14)6-7-18-12/h2-7H,1H3
InChIKeyZJUNCQZKCJUHKA-UHFFFAOYSA-N
XLogP3.55
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-cyanophenyl)-N-methylbenzamide
CID 54296865
3-amino-4-[(3-chlorothiophene-2-carbonyl)-methylamino]benzoic acid
CID 80645222
methyl 2-(2-cyano-N-methylanilino)-2-oxoacetate
CID 112617468
2-bromo-N-(2-cyanophenyl)-N,3-dimethylbenzamide
CID 103857236
N-(2-cyanophenyl)-4-fluoro-2-iodo-N-methylbenzamide
CID 103841297
4-bromo-N-(2-cyanophenyl)-N-methyl-2-sulfanylbenzamide
CID 107032776
3-[(2-cyanophenyl)-methylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369822
(E)-3-chloro-3-(3-chlorothiophen-2-yl)-2-phenylprop-2-enenitrile
CID 80642554
2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 79494134
3-chloro-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide
CID 80641115
4-amino-N-(2-cyanophenyl)-N,3-dimethylbutanamide
CID 81079299
3-(3-chlorothiophen-2-yl)-3-oxo-2-thiophen-2-ylpropanenitrile
CID 80644592

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-cyanophenyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-cyanophenyl)-N-methylthiophene-2-carboxamide (CID 80644312) is 3-chloro-N-(2-cyanophenyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-cyanophenyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-cyanophenyl)-N-methylthiophene-2-carboxamide is CN(C(=O)c1sccc1Cl)c1ccccc1C#N.
What is the InChIKey of 3-chloro-N-(2-cyanophenyl)-N-methylthiophene-2-carboxamide?
The InChIKey is ZJUNCQZKCJUHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c1-16(11-5-3-2-4-9(11)8-15)13(17)12-10(14)6-7-18-12/h2-7H,1H3.
What are the key properties of 3-chloro-N-(2-cyanophenyl)-N-methylthiophene-2-carboxamide?
3-chloro-N-(2-cyanophenyl)-N-methylthiophene-2-carboxamide has a molecular weight of 276.75 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyanophenyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 80644312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).