3-chloro-N-(2-cyano-3-methylphenyl)-4-methylthiophene-2-carboxamide

C14H11ClN2OS — CID 103577794

IUPAC3-chloro-N-(2-cyano-3-methylphenyl)-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2cccc(C)c2C#N)c1Cl
InChIInChI=1S/C14H11ClN2OS/c1-8-4-3-5-11(10(8)6-16)17-14(18)13-12(15)9(2)7-19-13/h3-5,7H,1-2H3,(H,17,18)
InChIKeyFFYKADSZPBJJOW-UHFFFAOYSA-N
MW290.78 g/mol
LogP4.14
Rot. Bonds2

About 3-chloro-N-(2-cyano-3-methylphenyl)-4-methylthiophene-2-carboxamide

3-chloro-N-(2-cyano-3-methylphenyl)-4-methylthiophene-2-carboxamide (PubChem CID 103577794) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is 3-chloro-N-(2-cyano-3-methylphenyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyano-3-methylphenyl)-4-methylthiophene-2-carboxamide
PubChem CID103577794
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC Name3-chloro-N-(2-cyano-3-methylphenyl)-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2cccc(C)c2C#N)c1Cl
InChIInChI=1S/C14H11ClN2OS/c1-8-4-3-5-11(10(8)6-16)17-14(18)13-12(15)9(2)7-19-13/h3-5,7H,1-2H3,(H,17,18)
InChIKeyFFYKADSZPBJJOW-UHFFFAOYSA-N
XLogP4.14
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide
CID 103401716
N-(2-cyano-3-methylphenyl)-4-iodobenzamide
CID 113241623
3-chloro-N-(4-iodophenyl)-4-methylthiophene-2-carboxamide
CID 103401913
3-chloro-N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide
CID 103402001
3-chloro-4-methyl-N-(2-sulfamoylphenyl)thiophene-2-carboxamide
CID 103405087
4-chloro-N-(2-cyano-3-methylphenyl)pyridine-3-carboxamide
CID 114003049
2-(2-aminoethyl)-N-(2-cyano-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 107805115
N-(2-cyano-3-methylphenyl)-3-hydroxy-2-methylbenzamide
CID 107799224
2-(2-cyano-3-methylanilino)-2-oxoacetic acid
CID 12715815
N-(2-bromo-5-iodophenyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 114258897
4-amino-3-chloro-N-(2-cyano-3-methylphenyl)benzamide
CID 107802373
N-(2-cyano-3-methylphenyl)-3-hydroxybenzamide
CID 107799227

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-cyano-3-methylphenyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-cyano-3-methylphenyl)-4-methylthiophene-2-carboxamide (CID 103577794) is 3-chloro-N-(2-cyano-3-methylphenyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-cyano-3-methylphenyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-cyano-3-methylphenyl)-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)Nc2cccc(C)c2C#N)c1Cl.
What is the InChIKey of 3-chloro-N-(2-cyano-3-methylphenyl)-4-methylthiophene-2-carboxamide?
The InChIKey is FFYKADSZPBJJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c1-8-4-3-5-11(10(8)6-16)17-14(18)13-12(15)9(2)7-19-13/h3-5,7H,1-2H3,(H,17,18).
What are the key properties of 3-chloro-N-(2-cyano-3-methylphenyl)-4-methylthiophene-2-carboxamide?
3-chloro-N-(2-cyano-3-methylphenyl)-4-methylthiophene-2-carboxamide has a molecular weight of 290.78 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyano-3-methylphenyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103577794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).