1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

C22H28N2O4S — CID 1075527

IUPAC1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C22H28N2O4S/c1-16(2)17-4-6-19(7-5-17)23-22(25)18-12-14-24(15-13-18)29(26,27)21-10-8-20(28-3)9-11-21/h4-11,16,18H,12-15H2,1-3H3,(H,23,25)
InChIKeyXWJCJMRVZIYGNO-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.86
Rot. Bonds6

About 1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 1075527) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
PubChem CID1075527
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C22H28N2O4S/c1-16(2)17-4-6-19(7-5-17)23-22(25)18-12-14-24(15-13-18)29(26,27)21-10-8-20(28-3)9-11-21/h4-11,16,18H,12-15H2,1-3H3,(H,23,25)
InChIKeyXWJCJMRVZIYGNO-UHFFFAOYSA-N
XLogP3.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-ylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (CID 1075527) is 1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is XWJCJMRVZIYGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-16(2)17-4-6-19(7-5-17)23-22(25)18-12-14-24(15-13-18)29(26,27)21-10-8-20(28-3)9-11-21/h4-11,16,18H,12-15H2,1-3H3,(H,23,25).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 416.54 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 1075527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).