1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide

C20H24N2O3S — CID 4669339

IUPAC1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-16-10-12-17(13-11-16)15-21-20(23)19-9-5-6-14-22(19)26(24,25)18-7-3-2-4-8-18/h2-4,7-8,10-13,19H,5-6,9,14-15H2,1H3,(H,21,23)
InChIKeyATJMPOHICMEVCH-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.85
Rot. Bonds5

About 1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide

1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide (PubChem CID 4669339) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide
PubChem CID4669339
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-16-10-12-17(13-11-16)15-21-20(23)19-9-5-6-14-22(19)26(24,25)18-7-3-2-4-8-18/h2-4,7-8,10-13,19H,5-6,9,14-15H2,1H3,(H,21,23)
InChIKeyATJMPOHICMEVCH-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284
(2S)-N-benzyl-1-(4-ethylphenyl)sulfonylpiperidine-2-carboxamide
CID 101173679
1-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 24617269
1-(benzenesulfonyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 46581681
1-(benzenesulfonyl)-N-prop-2-ynylpiperidine-2-carboxamide
CID 46418890
1-(benzenesulfonyl)-N-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 78851954
(3R)-1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1081586
1-(benzenesulfonyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide
CID 43058785
(4-methylphenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate
CID 18227376
(2S)-N-benzyl-1-(3,4-dimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 110286168
(2S)-1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 40696797
(2S)-1-(benzenesulfonyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 30837274

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide (CID 4669339) is 1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide is Cc1ccc(CNC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide?
The InChIKey is ATJMPOHICMEVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16-10-12-17(13-11-16)15-21-20(23)19-9-5-6-14-22(19)26(24,25)18-7-3-2-4-8-18/h2-4,7-8,10-13,19H,5-6,9,14-15H2,1H3,(H,21,23).
What are the key properties of 1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide?
1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 4669339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).