N-(3-acetylphenyl)-5-(benzenesulfonyl)thiophene-2-carboxamide

C19H15NO4S2 — CID 53124429

IUPACN-(3-acetylphenyl)-5-(benzenesulfonyl)thiophene-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)c1
InChIInChI=1S/C19H15NO4S2/c1-13(21)14-6-5-7-15(12-14)20-19(22)17-10-11-18(25-17)26(23,24)16-8-3-2-4-9-16/h2-12H,1H3,(H,20,22)
InChIKeyBXAIAFLRZDXXHZ-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.04
Rot. Bonds5

About N-(3-acetylphenyl)-5-(benzenesulfonyl)thiophene-2-carboxamide

N-(3-acetylphenyl)-5-(benzenesulfonyl)thiophene-2-carboxamide (PubChem CID 53124429) has the molecular formula C19H15NO4S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-(benzenesulfonyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-(benzenesulfonyl)thiophene-2-carboxamide
PubChem CID53124429
Molecular FormulaC19H15NO4S2
Molecular Weight385.47 g/mol
Exact Mass385.04
IUPAC NameN-(3-acetylphenyl)-5-(benzenesulfonyl)thiophene-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)c1
InChIInChI=1S/C19H15NO4S2/c1-13(21)14-6-5-7-15(12-14)20-19(22)17-10-11-18(25-17)26(23,24)16-8-3-2-4-9-16/h2-12H,1H3,(H,20,22)
InChIKeyBXAIAFLRZDXXHZ-UHFFFAOYSA-N
XLogP4.04
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 53124469
N-(2-amino-2-methylpropyl)-5-(benzenesulfonyl)thiophene-2-carboxamide
CID 119626257
N-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 53124593
N-(3-acetylphenyl)-2-methylsulfonylbenzamide
CID 2522636
3-(benzenesulfonyl)-N-(3-hydroxyphenyl)benzamide
CID 171989498
5-(benzenesulfonyl)-N,N-dimethylthiophene-2-carboxamide
CID 71920351
N-[3-(benzenesulfonyl)phenyl]acetamide;molecular hydrogen
CID 142001104
N-(3-acetamidophenyl)-5-acetylthiophene-2-carboxamide
CID 18089390
N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]benzamide
CID 126346371
5-acetyl-N-[3-(azepan-1-ylsulfonyl)phenyl]thiophene-2-carboxamide
CID 36843795
N-[4-(3-acetylanilino)phenyl]benzamide
CID 112988119
N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 34830846

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-(benzenesulfonyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-(benzenesulfonyl)thiophene-2-carboxamide (CID 53124429) is N-(3-acetylphenyl)-5-(benzenesulfonyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-(benzenesulfonyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-(benzenesulfonyl)thiophene-2-carboxamide is CC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-(benzenesulfonyl)thiophene-2-carboxamide?
The InChIKey is BXAIAFLRZDXXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4S2/c1-13(21)14-6-5-7-15(12-14)20-19(22)17-10-11-18(25-17)26(23,24)16-8-3-2-4-9-16/h2-12H,1H3,(H,20,22).
What are the key properties of N-(3-acetylphenyl)-5-(benzenesulfonyl)thiophene-2-carboxamide?
N-(3-acetylphenyl)-5-(benzenesulfonyl)thiophene-2-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-(benzenesulfonyl)thiophene-2-carboxamide is sourced from PubChem (CID 53124429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).