(3R)-1-(4-cyclohexylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

C27H36N2O3S — CID 95088178

IUPAC(3R)-1-(4-cyclohexylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)[C@]1(C)CCCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1
InChIInChI=1S/C27H36N2O3S/c1-21-9-6-7-12-24(21)19-28-26(30)27(2)17-8-18-29(20-27)33(31,32)25-15-13-23(14-16-25)22-10-4-3-5-11-22/h6-7,9,12-16,22H,3-5,8,10-11,17-20H2,1-2H3,(H,28,30)/t27-/m1/s1
InChIKeyKOVUIHLDFPCEPB-HHHXNRCGSA-N
MW468.66 g/mol
LogP5.15
Rot. Bonds6

About (3R)-1-(4-cyclohexylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

(3R)-1-(4-cyclohexylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 95088178) has the molecular formula C27H36N2O3S and a molecular weight of 468.66 g/mol. Its IUPAC name is (3R)-1-(4-cyclohexylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-cyclohexylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID95088178
Molecular FormulaC27H36N2O3S
Molecular Weight468.66 g/mol
Exact Mass468.24
IUPAC Name(3R)-1-(4-cyclohexylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)[C@]1(C)CCCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1
InChIInChI=1S/C27H36N2O3S/c1-21-9-6-7-12-24(21)19-28-26(30)27(2)17-8-18-29(20-27)33(31,32)25-15-13-23(14-16-25)22-10-4-3-5-11-22/h6-7,9,12-16,22H,3-5,8,10-11,17-20H2,1-2H3,(H,28,30)/t27-/m1/s1
InChIKeyKOVUIHLDFPCEPB-HHHXNRCGSA-N
XLogP5.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.66
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-(4-cyclohexylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-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

(3S)-N-benzyl-1-(4-cyclohexylphenyl)sulfonyl-3-methylpiperidine-3-carboxamide
CID 95088348
(3R)-N-benzyl-1-(4-cyclohexylphenyl)sulfonyl-3-methylpiperidine-3-carboxamide
CID 95088349
(3R)-3-methyl-N-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 95088204
1-(4-cyclohexylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117428
(3R)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 93071380
1-(3-chloro-4-fluorophenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53011236
(3R)-1-(2-chlorophenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95088198
(3R)-1-(2,4-dimethylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95088188
(3R)-1-(3-chloro-2-methylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95088208
(3R)-N-benzyl-1-(4-ethylphenyl)sulfonyl-3-methylpiperidine-3-carboxamide
CID 95088364
(3R)-1-N-cyclohexyl-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087773
1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 134107417

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-cyclohexylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-cyclohexylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide (CID 95088178) is (3R)-1-(4-cyclohexylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-cyclohexylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-cyclohexylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide is Cc1ccccc1CNC(=O)[C@]1(C)CCCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1.
What is the InChIKey of (3R)-1-(4-cyclohexylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is KOVUIHLDFPCEPB-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H36N2O3S/c1-21-9-6-7-12-24(21)19-28-26(30)27(2)17-8-18-29(20-27)33(31,32)25-15-13-23(14-16-25)22-10-4-3-5-11-22/h6-7,9,12-16,22H,3-5,8,10-11,17-20H2,1-2H3,(H,28,30)/t27-/m1/s1.
What are the key properties of (3R)-1-(4-cyclohexylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
(3R)-1-(4-cyclohexylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 468.66 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-cyclohexylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95088178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).