1-(4-tert-butylphenyl)sulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide

C24H31ClN2O3S — CID 26622257

IUPAC1-(4-tert-butylphenyl)sulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C24H31ClN2O3S/c1-24(2,3)20-8-10-22(11-9-20)31(29,30)27-14-12-19(13-15-27)23(28)26(4)17-18-6-5-7-21(25)16-18/h5-11,16,19H,12-15,17H2,1-4H3
InChIKeyBGEYJDVDHMGTCI-UHFFFAOYSA-N
MW463.04 g/mol
LogP4.70
Rot. Bonds5

About 1-(4-tert-butylphenyl)sulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide

1-(4-tert-butylphenyl)sulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 26622257) has the molecular formula C24H31ClN2O3S and a molecular weight of 463.04 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
PubChem CID26622257
Molecular FormulaC24H31ClN2O3S
Molecular Weight463.04 g/mol
Exact Mass462.17
IUPAC Name1-(4-tert-butylphenyl)sulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C24H31ClN2O3S/c1-24(2,3)20-8-10-22(11-9-20)31(29,30)27-14-12-19(13-15-27)23(28)26(4)17-18-6-5-7-21(25)16-18/h5-11,16,19H,12-15,17H2,1-4H3
InChIKeyBGEYJDVDHMGTCI-UHFFFAOYSA-N
XLogP4.70
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.04
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-tert-butylphenyl)sulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-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-butylsulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 55767227
N-[(4-chlorophenyl)methyl]-1-[(3-chlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide
CID 92680220
N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27773929
N-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004164
N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 27795278
4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 54868902
1-(benzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26594400
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methylpiperidine-4-carboxamide
CID 55336042
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 26594403
1-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 27824459
N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 31287206
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 7601399

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide (CID 26622257) is 1-(4-tert-butylphenyl)sulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide is CN(Cc1cccc(Cl)c1)C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is BGEYJDVDHMGTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O3S/c1-24(2,3)20-8-10-22(11-9-20)31(29,30)27-14-12-19(13-15-27)23(28)26(4)17-18-6-5-7-21(25)16-18/h5-11,16,19H,12-15,17H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)sulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide?
1-(4-tert-butylphenyl)sulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 463.04 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 26622257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).