3-[benzyl(ethyl)sulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide

C24H25FN2O4S — CID 4060605

IUPAC3-[benzyl(ethyl)sulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N(CC)Cc3ccccc3)c2)cc1
InChIInChI=1S/C24H25FN2O4S/c1-3-27(17-18-8-6-5-7-9-18)32(29,30)23-16-19(10-15-22(23)25)24(28)26-20-11-13-21(14-12-20)31-4-2/h5-16H,3-4,17H2,1-2H3,(H,26,28)
InChIKeyXIJQBQZUKCLTGF-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.69
Rot. Bonds9

About 3-[benzyl(ethyl)sulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide

3-[benzyl(ethyl)sulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide (PubChem CID 4060605) has the molecular formula C24H25FN2O4S and a molecular weight of 456.54 g/mol. Its IUPAC name is 3-[benzyl(ethyl)sulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-[benzyl(ethyl)sulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide
PubChem CID4060605
Molecular FormulaC24H25FN2O4S
Molecular Weight456.54 g/mol
Exact Mass456.15
IUPAC Name3-[benzyl(ethyl)sulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N(CC)Cc3ccccc3)c2)cc1
InChIInChI=1S/C24H25FN2O4S/c1-3-27(17-18-8-6-5-7-9-18)32(29,30)23-16-19(10-15-22(23)25)24(28)26-20-11-13-21(14-12-20)31-4-2/h5-16H,3-4,17H2,1-2H3,(H,26,28)
InChIKeyXIJQBQZUKCLTGF-UHFFFAOYSA-N
XLogP4.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[benzyl(ethyl)sulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide 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 3-[benzyl(ethyl)sulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide?
The IUPAC name of 3-[benzyl(ethyl)sulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide (CID 4060605) is 3-[benzyl(ethyl)sulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide.
What is the SMILES notation for 3-[benzyl(ethyl)sulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide?
The canonical SMILES for 3-[benzyl(ethyl)sulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide is CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N(CC)Cc3ccccc3)c2)cc1.
What is the InChIKey of 3-[benzyl(ethyl)sulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide?
The InChIKey is XIJQBQZUKCLTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4S/c1-3-27(17-18-8-6-5-7-9-18)32(29,30)23-16-19(10-15-22(23)25)24(28)26-20-11-13-21(14-12-20)31-4-2/h5-16H,3-4,17H2,1-2H3,(H,26,28).
What are the key properties of 3-[benzyl(ethyl)sulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide?
3-[benzyl(ethyl)sulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide has a molecular weight of 456.54 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)sulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide is sourced from PubChem (CID 4060605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).