N-(2-acetylphenyl)-1-benzothiophene-3-carboxamide

C17H13NO2S — CID 60704804

IUPACN-(2-acetylphenyl)-1-benzothiophene-3-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1csc2ccccc12
InChIInChI=1S/C17H13NO2S/c1-11(19)12-6-2-4-8-15(12)18-17(20)14-10-21-16-9-5-3-7-13(14)16/h2-10H,1H3,(H,18,20)
InChIKeyBJTYPBDDCUXDOD-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.36
Rot. Bonds3

About N-(2-acetylphenyl)-1-benzothiophene-3-carboxamide

N-(2-acetylphenyl)-1-benzothiophene-3-carboxamide (PubChem CID 60704804) has the molecular formula C17H13NO2S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(2-acetylphenyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-1-benzothiophene-3-carboxamide
PubChem CID60704804
Molecular FormulaC17H13NO2S
Molecular Weight295.36 g/mol
Exact Mass295.07
IUPAC NameN-(2-acetylphenyl)-1-benzothiophene-3-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1csc2ccccc12
InChIInChI=1S/C17H13NO2S/c1-11(19)12-6-2-4-8-15(12)18-17(20)14-10-21-16-9-5-3-7-13(14)16/h2-10H,1H3,(H,18,20)
InChIKeyBJTYPBDDCUXDOD-UHFFFAOYSA-N
XLogP4.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(chloromethyl)phenyl]-1-benzothiophene-3-carboxamide
CID 114298566
N-(2-cyanophenyl)-1-benzothiophene-3-carboxamide
CID 6468576
N-(4-aminophenyl)-1-benzothiophene-3-carboxamide
CID 55012552
N-(2,5-dichloro-4-methylphenyl)-1-benzothiophene-3-carboxamide
CID 66596334
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-carboxamide
CID 17374715
1-(1-benzothiophen-3-yl)ethanone;N,N-dimethylethanamine
CID 142071955
N-(3-methyl-2-pyridinyl)-1-benzothiophene-3-carboxamide
CID 25343168
N-(2-ethyl-6-methylphenyl)-1-benzothiophene-3-carboxamide
CID 1247322
2-[(2-acetylbenzoyl)amino]benzoic acid
CID 71162267
N-(2-chloro-4-cyanophenyl)-1-benzothiophene-3-carboxamide
CID 103811101
N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-benzothiophene-3-carboxamide
CID 77046971
N-(6-chloro-5-methyl-3-pyridinyl)-1-benzothiophene-3-carboxamide
CID 103745253

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(2-acetylphenyl)-1-benzothiophene-3-carboxamide (CID 60704804) is N-(2-acetylphenyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(2-acetylphenyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(2-acetylphenyl)-1-benzothiophene-3-carboxamide is CC(=O)c1ccccc1NC(=O)c1csc2ccccc12.
What is the InChIKey of N-(2-acetylphenyl)-1-benzothiophene-3-carboxamide?
The InChIKey is BJTYPBDDCUXDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2S/c1-11(19)12-6-2-4-8-15(12)18-17(20)14-10-21-16-9-5-3-7-13(14)16/h2-10H,1H3,(H,18,20).
What are the key properties of N-(2-acetylphenyl)-1-benzothiophene-3-carboxamide?
N-(2-acetylphenyl)-1-benzothiophene-3-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 60704804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).