3-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide

C13H9ClN2OS — CID 80644972

IUPAC3-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)c1sccc1Cl
InChIInChI=1S/C13H9ClN2OS/c1-8-2-3-9(7-15)6-11(8)16-13(17)12-10(14)4-5-18-12/h2-6H,1H3,(H,16,17)
InChIKeyKNGGHLIEAQXCEZ-UHFFFAOYSA-N
MW276.75 g/mol
LogP3.83
Rot. Bonds2

About 3-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide

3-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide (PubChem CID 80644972) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is 3-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide
PubChem CID80644972
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name3-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)c1sccc1Cl
InChIInChI=1S/C13H9ClN2OS/c1-8-2-3-9(7-15)6-11(8)16-13(17)12-10(14)4-5-18-12/h2-6H,1H3,(H,16,17)
InChIKeyKNGGHLIEAQXCEZ-UHFFFAOYSA-N
XLogP3.83
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide
CID 103736029
3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 2812461
2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide
CID 62105070
N-(5-cyano-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47475999
5-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide
CID 55037313
3-bromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide
CID 103799691
5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475858
3-chloro-N-(4-hydroxy-2-methylphenyl)thiophene-2-carboxamide
CID 80641212
3-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475839
4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81226761
1-(2-chlorophenyl)-3-(5-cyano-2-methylphenyl)urea
CID 62105247
6-chloro-N-(5-cyano-2-methylphenyl)pyrazine-2-carboxamide
CID 106551252

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide (CID 80644972) is 3-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide is Cc1ccc(C#N)cc1NC(=O)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide?
The InChIKey is KNGGHLIEAQXCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c1-8-2-3-9(7-15)6-11(8)16-13(17)12-10(14)4-5-18-12/h2-6H,1H3,(H,16,17).
What are the key properties of 3-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide?
3-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide has a molecular weight of 276.75 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 80644972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).