1-(benzenesulfonyl)-N-(2-phenylbutyl)piperidine-2-carboxamide

C22H28N2O3S — CID 43017670

IUPAC1-(benzenesulfonyl)-N-(2-phenylbutyl)piperidine-2-carboxamide
SMILESCCC(CNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N2O3S/c1-2-18(19-11-5-3-6-12-19)17-23-22(25)21-15-9-10-16-24(21)28(26,27)20-13-7-4-8-14-20/h3-8,11-14,18,21H,2,9-10,15-17H2,1H3,(H,23,25)
InChIKeySJQPMPBEBHPXDL-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.54
Rot. Bonds7

About 1-(benzenesulfonyl)-N-(2-phenylbutyl)piperidine-2-carboxamide

1-(benzenesulfonyl)-N-(2-phenylbutyl)piperidine-2-carboxamide (PubChem CID 43017670) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(2-phenylbutyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(2-phenylbutyl)piperidine-2-carboxamide
PubChem CID43017670
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name1-(benzenesulfonyl)-N-(2-phenylbutyl)piperidine-2-carboxamide
SMILESCCC(CNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N2O3S/c1-2-18(19-11-5-3-6-12-19)17-23-22(25)21-15-9-10-16-24(21)28(26,27)20-13-7-4-8-14-20/h3-8,11-14,18,21H,2,9-10,15-17H2,1H3,(H,23,25)
InChIKeySJQPMPBEBHPXDL-UHFFFAOYSA-N
XLogP3.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide
CID 120827222
1-(benzenesulfonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120652440
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120827221
1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-2-carboxamide
CID 17414721
1-(benzenesulfonyl)-N-prop-2-ynylpiperidine-2-carboxamide
CID 46418890
1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide
CID 78866856
1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284
(2R)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 6600143
1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119500164
N-(2-amino-2-methylpropyl)-1-(benzenesulfonyl)piperidine-2-carboxamide;hydrochloride
CID 119626015
N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide
CID 39952483
dimethyl-[(1R)-2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-1-phenylethyl]azanium
CID 9284558

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(2-phenylbutyl)piperidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(2-phenylbutyl)piperidine-2-carboxamide (CID 43017670) is 1-(benzenesulfonyl)-N-(2-phenylbutyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(2-phenylbutyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(2-phenylbutyl)piperidine-2-carboxamide is CCC(CNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(2-phenylbutyl)piperidine-2-carboxamide?
The InChIKey is SJQPMPBEBHPXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-2-18(19-11-5-3-6-12-19)17-23-22(25)21-15-9-10-16-24(21)28(26,27)20-13-7-4-8-14-20/h3-8,11-14,18,21H,2,9-10,15-17H2,1H3,(H,23,25).
What are the key properties of 1-(benzenesulfonyl)-N-(2-phenylbutyl)piperidine-2-carboxamide?
1-(benzenesulfonyl)-N-(2-phenylbutyl)piperidine-2-carboxamide has a molecular weight of 400.54 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(2-phenylbutyl)piperidine-2-carboxamide is sourced from PubChem (CID 43017670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).