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

C20H24N2O3S — CID 17414721

IUPAC1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-2-carboxamide
SMILESCC(NC(=O)C1CCCCN1S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-16(17-10-4-2-5-11-17)21-20(23)19-14-8-9-15-22(19)26(24,25)18-12-6-3-7-13-18/h2-7,10-13,16,19H,8-9,14-15H2,1H3,(H,21,23)
InChIKeyAKPQRAUKBDDMJL-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.11
Rot. Bonds5

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

1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-2-carboxamide (PubChem CID 17414721) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-2-carboxamide
PubChem CID17414721
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-2-carboxamide
SMILESCC(NC(=O)C1CCCCN1S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-16(17-10-4-2-5-11-17)21-20(23)19-14-8-9-15-22(19)26(24,25)18-12-6-3-7-13-18/h2-7,10-13,16,19H,8-9,14-15H2,1H3,(H,21,23)
InChIKeyAKPQRAUKBDDMJL-UHFFFAOYSA-N
XLogP3.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 165121500
1-(benzenesulfonyl)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide
CID 55334760
(2R)-1,4-bis(benzenesulfonyl)-N-[(1R)-1-phenylethyl]piperazine-2-carboxamide
CID 1106368
1-(benzenesulfonyl)-N-(2-phenylbutyl)piperidine-2-carboxamide
CID 43017670
(3R)-1-(benzenesulfonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 39878026
1-(benzenesulfonyl)-N-cyclopentylpiperidine-2-carboxamide
CID 51159553
1-(benzenesulfonyl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide
CID 60573630
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide
CID 120827222
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 31143327
(2S)-1-(benzenesulfonyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 30837322
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120827221
(2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 12739440

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-2-carboxamide (CID 17414721) is 1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-2-carboxamide is CC(NC(=O)C1CCCCN1S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-2-carboxamide?
The InChIKey is AKPQRAUKBDDMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16(17-10-4-2-5-11-17)21-20(23)19-14-8-9-15-22(19)26(24,25)18-12-6-3-7-13-18/h2-7,10-13,16,19H,8-9,14-15H2,1H3,(H,21,23).
What are the key properties of 1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-2-carboxamide?
1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-2-carboxamide is sourced from PubChem (CID 17414721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).