1-[(2-chlorophenyl)methylsulfonyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide

C24H31ClN2O4S — CID 133184823

IUPAC1-[(2-chlorophenyl)methylsulfonyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)c1ccc(OC)c(C)c1
InChIInChI=1S/C24H31ClN2O4S/c1-4-22(19-9-10-23(31-3)17(2)15-19)26-24(28)18-11-13-27(14-12-18)32(29,30)16-20-7-5-6-8-21(20)25/h5-10,15,18,22H,4,11-14,16H2,1-3H3,(H,26,28)
InChIKeyLXEQJJKIUMCANC-UHFFFAOYSA-N
MW479.04 g/mol
LogP4.47
Rot. Bonds8

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

1-[(2-chlorophenyl)methylsulfonyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide (PubChem CID 133184823) has the molecular formula C24H31ClN2O4S and a molecular weight of 479.04 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methylsulfonyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methylsulfonyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide
PubChem CID133184823
Molecular FormulaC24H31ClN2O4S
Molecular Weight479.04 g/mol
Exact Mass478.17
IUPAC Name1-[(2-chlorophenyl)methylsulfonyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)c1ccc(OC)c(C)c1
InChIInChI=1S/C24H31ClN2O4S/c1-4-22(19-9-10-23(31-3)17(2)15-19)26-24(28)18-11-13-27(14-12-18)32(29,30)16-20-7-5-6-8-21(20)25/h5-10,15,18,22H,4,11-14,16H2,1-3H3,(H,26,28)
InChIKeyLXEQJJKIUMCANC-UHFFFAOYSA-N
XLogP4.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.04
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2-chlorophenyl)methylsulfonyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-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

1-[(3-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide
CID 100730031
1-[(2-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94012854
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 100592644
1-[(2,4-dichlorophenyl)methyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide
CID 133162092
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide
CID 100689756
(3S)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95877813
1-[(2-chlorophenyl)methylsulfonyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 92802369
1-[(2-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 99131182
N-[1-(3,4-dimethoxyphenyl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 133167146
(3R)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 100762490
N-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92802448
1-benzylsulfonyl-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide
CID 92676349

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide (CID 133184823) is 1-[(2-chlorophenyl)methylsulfonyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methylsulfonyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methylsulfonyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide is CCC(NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)c1ccc(OC)c(C)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methylsulfonyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide?
The InChIKey is LXEQJJKIUMCANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O4S/c1-4-22(19-9-10-23(31-3)17(2)15-19)26-24(28)18-11-13-27(14-12-18)32(29,30)16-20-7-5-6-8-21(20)25/h5-10,15,18,22H,4,11-14,16H2,1-3H3,(H,26,28).
What are the key properties of 1-[(2-chlorophenyl)methylsulfonyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide?
1-[(2-chlorophenyl)methylsulfonyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide has a molecular weight of 479.04 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methylsulfonyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 133184823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).