(3S)-1-(4-chlorophenyl)sulfonyl-N-[(2S)-4-methyl-4-phenylpentan-2-yl]piperidine-3-carboxamide

C24H31ClN2O3S — CID 125058828

IUPAC(3S)-1-(4-chlorophenyl)sulfonyl-N-[(2S)-4-methyl-4-phenylpentan-2-yl]piperidine-3-carboxamide
SMILESC[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H31ClN2O3S/c1-18(16-24(2,3)20-9-5-4-6-10-20)26-23(28)19-8-7-15-27(17-19)31(29,30)22-13-11-21(25)12-14-22/h4-6,9-14,18-19H,7-8,15-17H2,1-3H3,(H,26,28)/t18-,19-/m0/s1
InChIKeyICOLCRDHZHKNDC-OALUTQOASA-N
MW463.04 g/mol
LogP4.61
Rot. Bonds7

About (3S)-1-(4-chlorophenyl)sulfonyl-N-[(2S)-4-methyl-4-phenylpentan-2-yl]piperidine-3-carboxamide

(3S)-1-(4-chlorophenyl)sulfonyl-N-[(2S)-4-methyl-4-phenylpentan-2-yl]piperidine-3-carboxamide (PubChem CID 125058828) has the molecular formula C24H31ClN2O3S and a molecular weight of 463.04 g/mol. Its IUPAC name is (3S)-1-(4-chlorophenyl)sulfonyl-N-[(2S)-4-methyl-4-phenylpentan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-chlorophenyl)sulfonyl-N-[(2S)-4-methyl-4-phenylpentan-2-yl]piperidine-3-carboxamide
PubChem CID125058828
Molecular FormulaC24H31ClN2O3S
Molecular Weight463.04 g/mol
Exact Mass462.17
IUPAC Name(3S)-1-(4-chlorophenyl)sulfonyl-N-[(2S)-4-methyl-4-phenylpentan-2-yl]piperidine-3-carboxamide
SMILESC[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H31ClN2O3S/c1-18(16-24(2,3)20-9-5-4-6-10-20)26-23(28)19-8-7-15-27(17-19)31(29,30)22-13-11-21(25)12-14-22/h4-6,9-14,18-19H,7-8,15-17H2,1-3H3,(H,26,28)/t18-,19-/m0/s1
InChIKeyICOLCRDHZHKNDC-OALUTQOASA-N
XLogP4.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.04
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 133189587
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 100675979
1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 51179844
(3R)-1-(benzenesulfonyl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 93476471
(3S)-N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 1078490
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 100675994
(3S)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 30330612
1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 47140984
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(2-methylphenyl)propyl]piperidine-3-carboxamide
CID 100676832
(3S)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 92821014
(3R)-1-(benzenesulfonyl)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]piperidine-3-carboxamide
CID 100659484
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(4-ethylphenyl)ethyl]piperidine-3-carboxamide
CID 100678013

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chlorophenyl)sulfonyl-N-[(2S)-4-methyl-4-phenylpentan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-chlorophenyl)sulfonyl-N-[(2S)-4-methyl-4-phenylpentan-2-yl]piperidine-3-carboxamide (CID 125058828) is (3S)-1-(4-chlorophenyl)sulfonyl-N-[(2S)-4-methyl-4-phenylpentan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-chlorophenyl)sulfonyl-N-[(2S)-4-methyl-4-phenylpentan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-chlorophenyl)sulfonyl-N-[(2S)-4-methyl-4-phenylpentan-2-yl]piperidine-3-carboxamide is C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (3S)-1-(4-chlorophenyl)sulfonyl-N-[(2S)-4-methyl-4-phenylpentan-2-yl]piperidine-3-carboxamide?
The InChIKey is ICOLCRDHZHKNDC-OALUTQOASA-N. The full InChI is InChI=1S/C24H31ClN2O3S/c1-18(16-24(2,3)20-9-5-4-6-10-20)26-23(28)19-8-7-15-27(17-19)31(29,30)22-13-11-21(25)12-14-22/h4-6,9-14,18-19H,7-8,15-17H2,1-3H3,(H,26,28)/t18-,19-/m0/s1.
What are the key properties of (3S)-1-(4-chlorophenyl)sulfonyl-N-[(2S)-4-methyl-4-phenylpentan-2-yl]piperidine-3-carboxamide?
(3S)-1-(4-chlorophenyl)sulfonyl-N-[(2S)-4-methyl-4-phenylpentan-2-yl]piperidine-3-carboxamide has a molecular weight of 463.04 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-chlorophenyl)sulfonyl-N-[(2S)-4-methyl-4-phenylpentan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 125058828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).