3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide

C24H32N2O4S — CID 46508301

IUPAC3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
SMILESCc1ccccc1OCCN(C)C(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1
InChIInChI=1S/C24H32N2O4S/c1-19-10-7-8-15-23(19)30-17-16-25(2)24(27)20-11-9-14-22(18-20)31(28,29)26(3)21-12-5-4-6-13-21/h7-11,14-15,18,21H,4-6,12-13,16-17H2,1-3H3
InChIKeyGGVXCXRSQRVGGY-UHFFFAOYSA-N
MW444.60 g/mol
LogP4.10
Rot. Bonds8

About 3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide

3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide (PubChem CID 46508301) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
PubChem CID46508301
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC Name3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
SMILESCc1ccccc1OCCN(C)C(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1
InChIInChI=1S/C24H32N2O4S/c1-19-10-7-8-15-23(19)30-17-16-25(2)24(27)20-11-9-14-22(18-20)31(28,29)26(3)21-12-5-4-6-13-21/h7-11,14-15,18,21H,4-6,12-13,16-17H2,1-3H3
InChIKeyGGVXCXRSQRVGGY-UHFFFAOYSA-N
XLogP4.10
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide?
The IUPAC name of 3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide (CID 46508301) is 3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide is Cc1ccccc1OCCN(C)C(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1.
What is the InChIKey of 3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide?
The InChIKey is GGVXCXRSQRVGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-19-10-7-8-15-23(19)30-17-16-25(2)24(27)20-11-9-14-22(18-20)31(28,29)26(3)21-12-5-4-6-13-21/h7-11,14-15,18,21H,4-6,12-13,16-17H2,1-3H3.
What are the key properties of 3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide?
3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide has a molecular weight of 444.60 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 46508301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).