4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide

C24H32N2O4S — CID 26458905

IUPAC4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C24H32N2O4S/c1-18-9-14-23(30-3)20(17-18)15-16-25-24(27)19-10-12-22(13-11-19)31(28,29)26(2)21-7-5-4-6-8-21/h9-14,17,21H,4-8,15-16H2,1-3H3,(H,25,27)
InChIKeyWGDFZWFLBBMBDM-UHFFFAOYSA-N
MW444.60 g/mol
LogP3.93
Rot. Bonds8

About 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide

4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide (PubChem CID 26458905) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
PubChem CID26458905
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC Name4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C24H32N2O4S/c1-18-9-14-23(30-3)20(17-18)15-16-25-24(27)19-10-12-22(13-11-19)31(28,29)26(2)21-7-5-4-6-8-21/h9-14,17,21H,4-8,15-16H2,1-3H3,(H,25,27)
InChIKeyWGDFZWFLBBMBDM-UHFFFAOYSA-N
XLogP3.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide (CID 26458905) is 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The canonical SMILES for 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide is COc1ccc(C)cc1CCNC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The InChIKey is WGDFZWFLBBMBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-18-9-14-23(30-3)20(17-18)15-16-25-24(27)19-10-12-22(13-11-19)31(28,29)26(2)21-7-5-4-6-8-21/h9-14,17,21H,4-8,15-16H2,1-3H3,(H,25,27).
What are the key properties of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide?
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide has a molecular weight of 444.60 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 26458905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).