(3R)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(2-methylphenyl)propyl]piperidine-3-carboxamide

C22H27ClN2O3S — CID 100676832

IUPAC(3R)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(2-methylphenyl)propyl]piperidine-3-carboxamide
SMILESCC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccc1C
InChIInChI=1S/C22H27ClN2O3S/c1-3-21(20-9-5-4-7-16(20)2)24-22(26)17-8-6-14-25(15-17)29(27,28)19-12-10-18(23)11-13-19/h4-5,7,9-13,17,21H,3,6,8,14-15H2,1-2H3,(H,24,26)/t17-,21-/m1/s1
InChIKeyRCGDGRZDDUJRPD-DYESRHJHSA-N
MW434.99 g/mol
LogP4.32
Rot. Bonds6

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

(3R)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(2-methylphenyl)propyl]piperidine-3-carboxamide (PubChem CID 100676832) has the molecular formula C22H27ClN2O3S and a molecular weight of 434.99 g/mol. Its IUPAC name is (3R)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(2-methylphenyl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(2-methylphenyl)propyl]piperidine-3-carboxamide
PubChem CID100676832
Molecular FormulaC22H27ClN2O3S
Molecular Weight434.99 g/mol
Exact Mass434.14
IUPAC Name(3R)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(2-methylphenyl)propyl]piperidine-3-carboxamide
SMILESCC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccc1C
InChIInChI=1S/C22H27ClN2O3S/c1-3-21(20-9-5-4-7-16(20)2)24-22(26)17-8-6-14-25(15-17)29(27,28)19-12-10-18(23)11-13-19/h4-5,7,9-13,17,21H,3,6,8,14-15H2,1-2H3,(H,24,26)/t17-,21-/m1/s1
InChIKeyRCGDGRZDDUJRPD-DYESRHJHSA-N
XLogP4.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.99
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(2-methylphenyl)propyl]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

(3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R)-1-(2-methylphenyl)propyl]piperidine-3-carboxamide
CID 100671673
(3S)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(2,4-dimethylphenyl)propyl]piperidine-3-carboxamide
CID 125058820
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(3,4-dimethylphenyl)propyl]piperidine-3-carboxamide
CID 100676462
(3S)-1-(benzenesulfonyl)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]piperidine-3-carboxamide
CID 125072492
(3S)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125076664
1-(4-fluorophenyl)sulfonyl-N-[(1S)-1-(2-methylphenyl)propyl]piperidine-4-carboxamide
CID 100653742
N-[1-(2-methylphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168121
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 100675979
(3S)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine-3-carboxamide
CID 125058830
(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
N-[1-(3-chlorophenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55583558

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(2-methylphenyl)propyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(2-methylphenyl)propyl]piperidine-3-carboxamide (CID 100676832) is (3R)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(2-methylphenyl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(2-methylphenyl)propyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(2-methylphenyl)propyl]piperidine-3-carboxamide is CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccc1C.
What is the InChIKey of (3R)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(2-methylphenyl)propyl]piperidine-3-carboxamide?
The InChIKey is RCGDGRZDDUJRPD-DYESRHJHSA-N. The full InChI is InChI=1S/C22H27ClN2O3S/c1-3-21(20-9-5-4-7-16(20)2)24-22(26)17-8-6-14-25(15-17)29(27,28)19-12-10-18(23)11-13-19/h4-5,7,9-13,17,21H,3,6,8,14-15H2,1-2H3,(H,24,26)/t17-,21-/m1/s1.
What are the key properties of (3R)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(2-methylphenyl)propyl]piperidine-3-carboxamide?
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(2-methylphenyl)propyl]piperidine-3-carboxamide has a molecular weight of 434.99 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(2-methylphenyl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 100676832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).