(3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide

C23H29ClN2O3S — CID 92642030

IUPAC(3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H29ClN2O3S/c1-16(2)21-8-4-6-17(3)22(21)25-23(27)19-7-5-13-26(14-19)30(28,29)15-18-9-11-20(24)12-10-18/h4,6,8-12,16,19H,5,7,13-15H2,1-3H3,(H,25,27)/t19-/m0/s1
InChIKeyRQCDQXLAKRSDKM-IBGZPJMESA-N
MW449.02 g/mol
LogP4.95
Rot. Bonds6

About (3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide

(3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide (PubChem CID 92642030) has the molecular formula C23H29ClN2O3S and a molecular weight of 449.02 g/mol. Its IUPAC name is (3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide
PubChem CID92642030
Molecular FormulaC23H29ClN2O3S
Molecular Weight449.02 g/mol
Exact Mass448.16
IUPAC Name(3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H29ClN2O3S/c1-16(2)21-8-4-6-17(3)22(21)25-23(27)19-7-5-13-26(14-19)30(28,29)15-18-9-11-20(24)12-10-18/h4,6,8-12,16,19H,5,7,13-15H2,1-3H3,(H,25,27)/t19-/m0/s1
InChIKeyRQCDQXLAKRSDKM-IBGZPJMESA-N
XLogP4.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.02
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)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)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 92641894
(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92642013
(3S)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641906
(3S)-1-[(2-chlorophenyl)methylsulfonyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 92641545
1-[(4-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 50810963
1-[(4-chlorophenyl)methylsulfonyl]-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 133161828
1-[(4-chlorophenyl)methylsulfonyl]-N-ethylpiperidine-3-carboxamide
CID 53289476
(3R)-N-(4-chlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641424
(3R)-N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976126
methyl 2-[[(3S)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carbonyl]amino]benzoate
CID 92641920
1-[(4-chlorophenyl)methylsulfonyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 50810945
N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 50811103

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide (CID 92642030) is (3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide is Cc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1.
What is the InChIKey of (3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide?
The InChIKey is RQCDQXLAKRSDKM-IBGZPJMESA-N. The full InChI is InChI=1S/C23H29ClN2O3S/c1-16(2)21-8-4-6-17(3)22(21)25-23(27)19-7-5-13-26(14-19)30(28,29)15-18-9-11-20(24)12-10-18/h4,6,8-12,16,19H,5,7,13-15H2,1-3H3,(H,25,27)/t19-/m0/s1.
What are the key properties of (3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide?
(3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide has a molecular weight of 449.02 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 92642030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).