1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide

C20H24N2O3S — CID 2921707

IUPAC1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-16(17-8-4-2-5-9-17)21-20(23)18-12-14-22(15-13-18)26(24,25)19-10-6-3-7-11-19/h2-11,16,18H,12-15H2,1H3,(H,21,23)
InChIKeyWPVBXADNPTZZIP-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.96
Rot. Bonds5

About 1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide

1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide (PubChem CID 2921707) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
PubChem CID2921707
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-16(17-8-4-2-5-9-17)21-20(23)18-12-14-22(15-13-18)26(24,25)19-10-6-3-7-11-19/h2-11,16,18H,12-15H2,1H3,(H,21,23)
InChIKeyWPVBXADNPTZZIP-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4119643
2-Propyl-pentanoic acid 4-sulfamoyl-benzylamide
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CID 1076675
N-((4-(Aminosulphonyl)phenyl)methyl)acetamide
CID 74833
(3s,5r)-N-(2,2-Diphenylethyl)-5-{[(4-Methylphenyl)sulfonyl]amino}piperidine-3-Carboxamide
CID 11993712
N-(4-methylcyclohexyl)-3-(4-methylpiperazino)sulfonyl-benzamide
CID 24983123
3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 670778
N-benzyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076673
4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 134817795
4-[(2~{R})-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 145952794
N-cyclohexyl-3-{4-[(isobutylamino)sulfonyl]phenyl}propanamide
CID 1210859
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CID 1289346

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide (CID 2921707) is 1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The InChIKey is WPVBXADNPTZZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16(17-8-4-2-5-9-17)21-20(23)18-12-14-22(15-13-18)26(24,25)19-10-6-3-7-11-19/h2-11,16,18H,12-15H2,1H3,(H,21,23).
What are the key properties of 1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.96, 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-4-carboxamide is sourced from PubChem (CID 2921707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).