4-benzoyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide

C20H22N2O4S — CID 110394017

IUPAC4-benzoyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N2O4S/c1-15-7-9-18(10-8-15)27(25,26)21-20(24)22-13-11-17(12-14-22)19(23)16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3,(H,21,24)
InChIKeyAYFIEENOBXPNMF-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.99
Rot. Bonds4

About 4-benzoyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide

4-benzoyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide (PubChem CID 110394017) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 4-benzoyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
PubChem CID110394017
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name4-benzoyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N2O4S/c1-15-7-9-18(10-8-15)27(25,26)21-20(24)22-13-11-17(12-14-22)19(23)16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3,(H,21,24)
InChIKeyAYFIEENOBXPNMF-UHFFFAOYSA-N
XLogP2.99
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-benzoyl-N-(4-methylphenyl)sulfonylpiperidine-1-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

4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110364713
4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide
CID 110350771
4-methoxy-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110748344
4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110749471
4-(4-benzoylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 41309315
[1-[(4-methylphenyl)sulfonylcarbamoyl]piperidin-4-yl]methyl carbamate
CID 175378510
2-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 3434753
N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 46179849
4-[(4-methylphenyl)sulfonylamino]-N-phenylpiperidine-1-carboxamide
CID 46380328
3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 55956075
N-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide
CID 38175688
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide?
The IUPAC name of 4-benzoyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide (CID 110394017) is 4-benzoyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide.
What is the SMILES notation for 4-benzoyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide?
The canonical SMILES for 4-benzoyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzoyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide?
The InChIKey is AYFIEENOBXPNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-15-7-9-18(10-8-15)27(25,26)21-20(24)22-13-11-17(12-14-22)19(23)16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3,(H,21,24).
What are the key properties of 4-benzoyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide?
4-benzoyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide is sourced from PubChem (CID 110394017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).