N-{4-[(1-Butylpiperidin-4-yl)sulfamoyl]phenyl}acetamide

HCID 21563541

Notes Reactions

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Basic information

CAS: 59528-76-6
Standard SMILES: CCCCN1CCC(NS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1
InChIKey: BLKKYGFMMSYNFF-UHFFFAOYSA-N
Molecular formula: C17H27N3O3S
Average molar mass: 353.5 g/mol
Monoisotopic mass: 353.17731291

Names & identifiers

Preferred name: N-{4-[(1-Butylpiperidin-4-yl)sulfamoyl]phenyl}acetamide
IUPAC: N-[4-[(1-butylpiperidin-4-yl)sulfamoyl]phenyl]acetamide

Names & synonyms

59528-76-6SCHEMBL11815786DTXSID20615892N-{4-[(1-Butylpiperidin-4-yl)sulfamoyl]phenyl}acetamideBLKKYGFMMSYNFF-UHFFFAOYSA-N4-Acetamido-N-(1-n-butyl-4-piperidyl)-benzenesulphonamide

Database identifiers

CAS: 59528-76-6
PubChem CID: 21563541
DTXSID: DTXSID20615892

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 86.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 24
Formal charge: 0
Complexity: 488

Related reactions

2 records

New reaction record

HRID 677460As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1580686As productuspto-grants-1976_01

Compound notes

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