N-(2-methylcyclohexyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide

C19H28N2O4S — CID 3193337

IUPACN-(2-methylcyclohexyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCC1CCCCC1NC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C19H28N2O4S/c1-14-5-2-3-7-18(14)21-19(22)15-8-10-17(11-9-15)26(23,24)20-13-16-6-4-12-25-16/h8-11,14,16,18,20H,2-7,12-13H2,1H3,(H,21,22)
InChIKeyOEJIRPPXQFFVAV-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.45
Rot. Bonds6

About N-(2-methylcyclohexyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide

N-(2-methylcyclohexyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 3193337) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID3193337
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC NameN-(2-methylcyclohexyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCC1CCCCC1NC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C19H28N2O4S/c1-14-5-2-3-7-18(14)21-19(22)15-8-10-17(11-9-15)26(23,24)20-13-16-6-4-12-25-16/h8-11,14,16,18,20H,2-7,12-13H2,1H3,(H,21,22)
InChIKeyOEJIRPPXQFFVAV-UHFFFAOYSA-N
XLogP2.45
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-methylcyclohexyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide 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 N-(2-methylcyclohexyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(2-methylcyclohexyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 3193337) is N-(2-methylcyclohexyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-methylcyclohexyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide is CC1CCCCC1NC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-(2-methylcyclohexyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is OEJIRPPXQFFVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-14-5-2-3-7-18(14)21-19(22)15-8-10-17(11-9-15)26(23,24)20-13-16-6-4-12-25-16/h8-11,14,16,18,20H,2-7,12-13H2,1H3,(H,21,22).
What are the key properties of N-(2-methylcyclohexyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-(2-methylcyclohexyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 380.51 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 3193337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).