(2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide

C20H24N2O3S — CID 2648510

IUPAC(2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H24N2O3S/c1-15-12-16(2)14-17(13-15)21-20(23)19-10-6-7-11-22(19)26(24,25)18-8-4-3-5-9-18/h3-5,8-9,12-14,19H,6-7,10-11H2,1-2H3,(H,21,23)/t19-/m0/s1
InChIKeyOXSIXJFUONXVNZ-IBGZPJMESA-N
MW372.49 g/mol
LogP3.49
Rot. Bonds4

About (2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide

(2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide (PubChem CID 2648510) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is (2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide
PubChem CID2648510
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name(2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H24N2O3S/c1-15-12-16(2)14-17(13-15)21-20(23)19-10-6-7-11-22(19)26(24,25)18-8-4-3-5-9-18/h3-5,8-9,12-14,19H,6-7,10-11H2,1-2H3,(H,21,23)/t19-/m0/s1
InChIKeyOXSIXJFUONXVNZ-IBGZPJMESA-N
XLogP3.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 24617125
(2R)-1-(benzenesulfonyl)-N-(2,4-dimethylphenyl)piperidine-2-carboxamide
CID 8714416
1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide
CID 2928504
1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide
CID 24604772
methyl 4-[[(2R)-1-(benzenesulfonyl)piperidine-2-carbonyl]amino]benzoate
CID 8765077
(2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8701358
1-(benzenesulfonyl)-N-(4-cyanophenyl)piperidine-2-carboxamide
CID 18077712
(2S)-1-(benzenesulfonyl)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide
CID 8018672
(2S)-N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8760667
1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)piperidine-2-carboxamide
CID 4312654
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-2-carboxamide
CID 2648526

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide (CID 2648510) is (2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide is Cc1cc(C)cc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of (2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide?
The InChIKey is OXSIXJFUONXVNZ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15-12-16(2)14-17(13-15)21-20(23)19-10-6-7-11-22(19)26(24,25)18-8-4-3-5-9-18/h3-5,8-9,12-14,19H,6-7,10-11H2,1-2H3,(H,21,23)/t19-/m0/s1.
What are the key properties of (2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide?
(2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 2648510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).