N-[4-(cyanomethyl)phenyl]thiophene-2-carboxamide

C13H10N2OS — CID 574246

IUPACN-[4-(cyanomethyl)phenyl]thiophene-2-carboxamide
SMILESN#CCc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C13H10N2OS/c14-8-7-10-3-5-11(6-4-10)15-13(16)12-2-1-9-17-12/h1-6,9H,7H2,(H,15,16)
InChIKeyREVMSZSIYLWEFH-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.07
Rot. Bonds3

About N-[4-(cyanomethyl)phenyl]thiophene-2-carboxamide

N-[4-(cyanomethyl)phenyl]thiophene-2-carboxamide (PubChem CID 574246) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]thiophene-2-carboxamide
PubChem CID574246
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC NameN-[4-(cyanomethyl)phenyl]thiophene-2-carboxamide
SMILESN#CCc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C13H10N2OS/c14-8-7-10-3-5-11(6-4-10)15-13(16)12-2-1-9-17-12/h1-6,9H,7H2,(H,15,16)
InChIKeyREVMSZSIYLWEFH-UHFFFAOYSA-N
XLogP3.07
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64792647
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 9065302
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-(4-sulfanylphenyl)thiophene-2-carboxamide
CID 27126639
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N-[4-(cyanomethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558619
N-[[4-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46492094
2-[4-(2-oxo-2-thiophen-2-ylethoxy)phenyl]acetonitrile
CID 60624193
N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 47254879
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
4-(thiophene-2-carbonylamino)benzenesulfonyl chloride
CID 15384313

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]thiophene-2-carboxamide (CID 574246) is N-[4-(cyanomethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]thiophene-2-carboxamide is N#CCc1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is REVMSZSIYLWEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c14-8-7-10-3-5-11(6-4-10)15-13(16)12-2-1-9-17-12/h1-6,9H,7H2,(H,15,16).
What are the key properties of N-[4-(cyanomethyl)phenyl]thiophene-2-carboxamide?
N-[4-(cyanomethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 242.30 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 574246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).