(3S)-N-benzyl-1-(4-cyclohexylphenyl)sulfonyl-3-methylpiperidine-3-carboxamide

C26H34N2O3S — CID 95088348

IUPAC(3S)-N-benzyl-1-(4-cyclohexylphenyl)sulfonyl-3-methylpiperidine-3-carboxamide
SMILESC[C@]1(C(=O)NCc2ccccc2)CCCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1
InChIInChI=1S/C26H34N2O3S/c1-26(25(29)27-19-21-9-4-2-5-10-21)17-8-18-28(20-26)32(30,31)24-15-13-23(14-16-24)22-11-6-3-7-12-22/h2,4-5,9-10,13-16,22H,3,6-8,11-12,17-20H2,1H3,(H,27,29)/t26-/m0/s1
InChIKeyQKDZLZVRNIPSCM-SANMLTNESA-N
MW454.64 g/mol
LogP4.84
Rot. Bonds6

About (3S)-N-benzyl-1-(4-cyclohexylphenyl)sulfonyl-3-methylpiperidine-3-carboxamide

(3S)-N-benzyl-1-(4-cyclohexylphenyl)sulfonyl-3-methylpiperidine-3-carboxamide (PubChem CID 95088348) has the molecular formula C26H34N2O3S and a molecular weight of 454.64 g/mol. Its IUPAC name is (3S)-N-benzyl-1-(4-cyclohexylphenyl)sulfonyl-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-benzyl-1-(4-cyclohexylphenyl)sulfonyl-3-methylpiperidine-3-carboxamide
PubChem CID95088348
Molecular FormulaC26H34N2O3S
Molecular Weight454.64 g/mol
Exact Mass454.23
IUPAC Name(3S)-N-benzyl-1-(4-cyclohexylphenyl)sulfonyl-3-methylpiperidine-3-carboxamide
SMILESC[C@]1(C(=O)NCc2ccccc2)CCCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1
InChIInChI=1S/C26H34N2O3S/c1-26(25(29)27-19-21-9-4-2-5-10-21)17-8-18-28(20-26)32(30,31)24-15-13-23(14-16-24)22-11-6-3-7-12-22/h2,4-5,9-10,13-16,22H,3,6-8,11-12,17-20H2,1H3,(H,27,29)/t26-/m0/s1
InChIKeyQKDZLZVRNIPSCM-SANMLTNESA-N
XLogP4.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.64
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-benzyl-1-(4-cyclohexylphenyl)sulfonyl-3-methylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-benzyl-1-(4-cyclohexylphenyl)sulfonyl-3-methylpiperidine-3-carboxamide
CID 95088349
1-(4-cyclohexylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117428
(3R)-1-(4-cyclohexylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95088178
(3R)-N-benzyl-1-(4-ethylphenyl)sulfonyl-3-methylpiperidine-3-carboxamide
CID 95088364
(3S)-1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95088115
(3S)-N-benzyl-3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 95088354
(3S)-1-(4-bromophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 93071390
(3R)-N-benzyl-3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 95088355
(3R)-1-(4-acetylphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95088314
(3R)-N-[(3-methoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidine-3-carboxamide
CID 95088219
(3S)-1-(4-tert-butylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 93071366
1-(4-ethoxyphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53011247

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-1-(4-cyclohexylphenyl)sulfonyl-3-methylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-benzyl-1-(4-cyclohexylphenyl)sulfonyl-3-methylpiperidine-3-carboxamide (CID 95088348) is (3S)-N-benzyl-1-(4-cyclohexylphenyl)sulfonyl-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-benzyl-1-(4-cyclohexylphenyl)sulfonyl-3-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-benzyl-1-(4-cyclohexylphenyl)sulfonyl-3-methylpiperidine-3-carboxamide is C[C@]1(C(=O)NCc2ccccc2)CCCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1.
What is the InChIKey of (3S)-N-benzyl-1-(4-cyclohexylphenyl)sulfonyl-3-methylpiperidine-3-carboxamide?
The InChIKey is QKDZLZVRNIPSCM-SANMLTNESA-N. The full InChI is InChI=1S/C26H34N2O3S/c1-26(25(29)27-19-21-9-4-2-5-10-21)17-8-18-28(20-26)32(30,31)24-15-13-23(14-16-24)22-11-6-3-7-12-22/h2,4-5,9-10,13-16,22H,3,6-8,11-12,17-20H2,1H3,(H,27,29)/t26-/m0/s1.
What are the key properties of (3S)-N-benzyl-1-(4-cyclohexylphenyl)sulfonyl-3-methylpiperidine-3-carboxamide?
(3S)-N-benzyl-1-(4-cyclohexylphenyl)sulfonyl-3-methylpiperidine-3-carboxamide has a molecular weight of 454.64 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-1-(4-cyclohexylphenyl)sulfonyl-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95088348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).