N-(4-acetylphenyl)thiophene-2-carboxamide

C13H11NO2S — CID 573780

IUPACN-(4-acetylphenyl)thiophene-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C13H11NO2S/c1-9(15)10-4-6-11(7-5-10)14-13(16)12-3-2-8-17-12/h2-8H,1H3,(H,14,16)
InChIKeyYIXZSHMHCPWXHV-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.20
Rot. Bonds3

About N-(4-acetylphenyl)thiophene-2-carboxamide

N-(4-acetylphenyl)thiophene-2-carboxamide (PubChem CID 573780) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-(4-acetylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)thiophene-2-carboxamide
PubChem CID573780
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC NameN-(4-acetylphenyl)thiophene-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C13H11NO2S/c1-9(15)10-4-6-11(7-5-10)14-13(16)12-3-2-8-17-12/h2-8H,1H3,(H,14,16)
InChIKeyYIXZSHMHCPWXHV-UHFFFAOYSA-N
XLogP3.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 22775651
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N-(4-sulfanylphenyl)thiophene-2-carboxamide
CID 27126639
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]acetamide
CID 809220
N-[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42122098
propan-2-yl 4-(thiophene-2-carbonylamino)benzoate
CID 718334
2-methylprop-2-enyl 4-(thiophene-2-carbonylamino)benzoate
CID 18122532
N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
CID 4069311
2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid
CID 2731835
5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid
CID 17296915
N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 51189018

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)thiophene-2-carboxamide (CID 573780) is N-(4-acetylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)thiophene-2-carboxamide is CC(=O)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-(4-acetylphenyl)thiophene-2-carboxamide?
The InChIKey is YIXZSHMHCPWXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c1-9(15)10-4-6-11(7-5-10)14-13(16)12-3-2-8-17-12/h2-8H,1H3,(H,14,16).
What are the key properties of N-(4-acetylphenyl)thiophene-2-carboxamide?
N-(4-acetylphenyl)thiophene-2-carboxamide has a molecular weight of 245.30 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 573780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).