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

C17H15NO2S — CID 78993497

IUPACN-(3-acetylphenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CSc3ccccc32)c1
InChIInChI=1S/C17H15NO2S/c1-11(19)12-5-4-6-13(9-12)18-17(20)15-10-21-16-8-3-2-7-14(15)16/h2-9,15H,10H2,1H3,(H,18,20)
InChIKeyTYPLLXMHNXCOTE-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.72
Rot. Bonds3

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

N-(3-acetylphenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide (PubChem CID 78993497) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
PubChem CID78993497
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC NameN-(3-acetylphenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CSc3ccccc32)c1
InChIInChI=1S/C17H15NO2S/c1-11(19)12-5-4-6-13(9-12)18-17(20)15-10-21-16-8-3-2-7-14(15)16/h2-9,15H,10H2,1H3,(H,18,20)
InChIKeyTYPLLXMHNXCOTE-UHFFFAOYSA-N
XLogP3.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-acetylphenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetylphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 64857039
2,3-dihydro-1-benzothiophen-3-yl-(3-methylphenyl)methanone
CID 105079264
N-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013625
3-[[[(3R)-2,3-dihydro-1-benzothiophene-3-carbonyl]amino]methyl]benzoic acid
CID 125148562
5-(2,3-dihydro-1-benzothiophene-3-carbonylamino)-3-methylthiophene-2-carboxylic acid
CID 79213967
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-(3-acetylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476131
(1S,5S)-N-(3-acetylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 50986057
N-(3-bromo-5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 75388630
N-(2-amino-5-methoxyphenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79212938
N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993536
2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide (CID 78993497) is N-(3-acetylphenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide is CC(=O)c1cccc(NC(=O)C2CSc3ccccc32)c1.
What is the InChIKey of N-(3-acetylphenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The InChIKey is TYPLLXMHNXCOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-11(19)12-5-4-6-13(9-12)18-17(20)15-10-21-16-8-3-2-7-14(15)16/h2-9,15H,10H2,1H3,(H,18,20).
What are the key properties of N-(3-acetylphenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
N-(3-acetylphenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 78993497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).