N-(4-acetylphenyl)-3-(piperidin-1-ylsulfonyl)benzamide (HCID 1127074)

Substructure search Find similar structures

Basic information

Standard SMILES: CC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1
InChIKey: PLBBQDBLUOEGFC-UHFFFAOYSA-N
Molecular formula: C20H22N2O4S
Average molar mass: 386.5 g/mol

Names & identifiers

Preferred name: N-(4-acetylphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
IUPAC: N-(4-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide

Names & synonyms

N-(4-acetylphenyl)-3-(piperidin-1-ylsulfonyl)benzamideN-(4-acetylphenyl)-3-(piperidine-1-sulfonyl)benzamideCambridge id 5921976SCHEMBL1002260PLBBQDBLUOEGFC-UHFFFAOYSA-NHTS03985STK751787AKOS001719031ST4018619EU-0051074SR-01000400680SR-01000400680-1

Show more names

N-(4-acetylphenyl)-3-(1-piperidinylsulfonyl)benzamideZ27699628N-(4-acetylphenyl)[3-(piperidylsulfonyl)phenyl]carboxamide

Database identifiers

PubChem CID: 1127074

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 91.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 629

Related reactions

6 records

New reaction record

HRID 145073As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1551063As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1967508As productuspto-grants-2013_04

HRID 1967509As reactantuspto-grants-2013_04

HRID 1967510As reactantuspto-grants-2013_04

HRID 2124329As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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