(3S)-N-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide

C25H27ClN4O3S — CID 92893334

IUPAC(3S)-N-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)C1
InChIInChI=1S/C25H27ClN4O3S/c26-20-6-8-21(9-7-20)27-25(31)19-4-3-13-29(17-19)24-12-5-18-16-22(10-11-23(18)28-24)34(32,33)30-14-1-2-15-30/h5-12,16,19H,1-4,13-15,17H2,(H,27,31)/t19-/m0/s1
InChIKeyHPCMGWJWTPNHCF-IBGZPJMESA-N
MW499.04 g/mol
LogP4.53
Rot. Bonds5

About (3S)-N-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide

(3S)-N-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide (PubChem CID 92893334) has the molecular formula C25H27ClN4O3S and a molecular weight of 499.04 g/mol. Its IUPAC name is (3S)-N-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
PubChem CID92893334
Molecular FormulaC25H27ClN4O3S
Molecular Weight499.04 g/mol
Exact Mass498.15
IUPAC Name(3S)-N-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)C1
InChIInChI=1S/C25H27ClN4O3S/c26-20-6-8-21(9-7-20)27-25(31)19-4-3-13-29(17-19)24-12-5-18-16-22(10-11-23(18)28-24)34(32,33)30-14-1-2-15-30/h5-12,16,19H,1-4,13-15,17H2,(H,27,31)/t19-/m0/s1
InChIKeyHPCMGWJWTPNHCF-IBGZPJMESA-N
XLogP4.53
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.04
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)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

N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 50806788
N-phenyl-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 50769456
(3S)-N-(3-chloro-4-methoxyphenyl)-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 98296000
(3S)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxylic acid
CID 92863878
(3R)-N-cyclooctyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888286
(3S)-N-(2-methylphenyl)-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888367
(3R)-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 92888330
piperidin-1-yl-[1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidin-3-yl]methanone
CID 50769435
(3S)-N-[(2-chlorophenyl)methyl]-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92867049
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673677
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100673660
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673047

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide (CID 92893334) is (3S)-N-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)C1.
What is the InChIKey of (3S)-N-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide?
The InChIKey is HPCMGWJWTPNHCF-IBGZPJMESA-N. The full InChI is InChI=1S/C25H27ClN4O3S/c26-20-6-8-21(9-7-20)27-25(31)19-4-3-13-29(17-19)24-12-5-18-16-22(10-11-23(18)28-24)34(32,33)30-14-1-2-15-30/h5-12,16,19H,1-4,13-15,17H2,(H,27,31)/t19-/m0/s1.
What are the key properties of (3S)-N-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide?
(3S)-N-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide has a molecular weight of 499.04 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92893334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).