(2R)-1-(benzenesulfonyl)-N-(2,4-dimethylphenyl)piperidine-2-carboxamide

C20H24N2O3S — CID 8714416

IUPAC(2R)-1-(benzenesulfonyl)-N-(2,4-dimethylphenyl)piperidine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C20H24N2O3S/c1-15-11-12-18(16(2)14-15)21-20(23)19-10-6-7-13-22(19)26(24,25)17-8-4-3-5-9-17/h3-5,8-9,11-12,14,19H,6-7,10,13H2,1-2H3,(H,21,23)/t19-/m1/s1
InChIKeyINKMIDNQKDTWIF-LJQANCHMSA-N
MW372.49 g/mol
LogP3.49
Rot. Bonds4

About (2R)-1-(benzenesulfonyl)-N-(2,4-dimethylphenyl)piperidine-2-carboxamide

(2R)-1-(benzenesulfonyl)-N-(2,4-dimethylphenyl)piperidine-2-carboxamide (PubChem CID 8714416) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is (2R)-1-(benzenesulfonyl)-N-(2,4-dimethylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(benzenesulfonyl)-N-(2,4-dimethylphenyl)piperidine-2-carboxamide
PubChem CID8714416
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name(2R)-1-(benzenesulfonyl)-N-(2,4-dimethylphenyl)piperidine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C20H24N2O3S/c1-15-11-12-18(16(2)14-15)21-20(23)19-10-6-7-13-22(19)26(24,25)17-8-4-3-5-9-17/h3-5,8-9,11-12,14,19H,6-7,10,13H2,1-2H3,(H,21,23)/t19-/m1/s1
InChIKeyINKMIDNQKDTWIF-LJQANCHMSA-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

(2S)-1-(4-chlorophenyl)sulfonyl-N-(2,4-dimethylphenyl)piperidine-2-carboxamide
CID 92887697
(2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide
CID 2648510
(2S)-N-(4-bromo-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 41023465
(2S)-1-(benzenesulfonyl)-N-(4-chloro-2-methoxy-5-methylphenyl)piperidine-2-carboxamide
CID 2526254
1-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)piperidine-2-carboxamide
CID 50762317
(2R)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide
CID 92887776
(2S)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide
CID 92887775
1-(benzenesulfonyl)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide
CID 43926596
1-(4-bromophenyl)sulfonyl-N-(4-fluoro-2-methylphenyl)piperidine-2-carboxamide
CID 50762358
(2S)-1-(4-bromophenyl)sulfonyl-N-(4-chloro-2-methylphenyl)piperidine-2-carboxamide
CID 92887761
methyl 4-[(2R)-2-[(2,4-dimethylphenyl)carbamoyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 95063594
1-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 42890844

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(benzenesulfonyl)-N-(2,4-dimethylphenyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-1-(benzenesulfonyl)-N-(2,4-dimethylphenyl)piperidine-2-carboxamide (CID 8714416) is (2R)-1-(benzenesulfonyl)-N-(2,4-dimethylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(benzenesulfonyl)-N-(2,4-dimethylphenyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-(benzenesulfonyl)-N-(2,4-dimethylphenyl)piperidine-2-carboxamide is Cc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c(C)c1.
What is the InChIKey of (2R)-1-(benzenesulfonyl)-N-(2,4-dimethylphenyl)piperidine-2-carboxamide?
The InChIKey is INKMIDNQKDTWIF-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15-11-12-18(16(2)14-15)21-20(23)19-10-6-7-13-22(19)26(24,25)17-8-4-3-5-9-17/h3-5,8-9,11-12,14,19H,6-7,10,13H2,1-2H3,(H,21,23)/t19-/m1/s1.
What are the key properties of (2R)-1-(benzenesulfonyl)-N-(2,4-dimethylphenyl)piperidine-2-carboxamide?
(2R)-1-(benzenesulfonyl)-N-(2,4-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 (2R)-1-(benzenesulfonyl)-N-(2,4-dimethylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 8714416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).