2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide

C21H26N2O4S — CID 50928591

IUPAC2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide
SMILESCc1cc(C)n(CC(=O)NC2CCCCC2)c(=O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H26N2O4S/c1-15-13-16(2)23(14-19(24)22-17-9-5-3-6-10-17)21(25)20(15)28(26,27)18-11-7-4-8-12-18/h4,7-8,11-13,17H,3,5-6,9-10,14H2,1-2H3,(H,22,24)
InChIKeyAYOMEQJZMOQFBC-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.75
Rot. Bonds5

About 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide

2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide (PubChem CID 50928591) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide
PubChem CID50928591
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide
SMILESCc1cc(C)n(CC(=O)NC2CCCCC2)c(=O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H26N2O4S/c1-15-13-16(2)23(14-19(24)22-17-9-5-3-6-10-17)21(25)20(15)28(26,27)18-11-7-4-8-12-18/h4,7-8,11-13,17H,3,5-6,9-10,14H2,1-2H3,(H,22,24)
InChIKeyAYOMEQJZMOQFBC-UHFFFAOYSA-N
XLogP2.75
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide 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 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide (CID 50928591) is 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide is Cc1cc(C)n(CC(=O)NC2CCCCC2)c(=O)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide?
The InChIKey is AYOMEQJZMOQFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15-13-16(2)23(14-19(24)22-17-9-5-3-6-10-17)21(25)20(15)28(26,27)18-11-7-4-8-12-18/h4,7-8,11-13,17H,3,5-6,9-10,14H2,1-2H3,(H,22,24).
What are the key properties of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide?
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide has a molecular weight of 402.52 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide is sourced from PubChem (CID 50928591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).