4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide

C25H28N2O4S — CID 46635569

IUPAC4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
SMILESCCC(CNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1)c1ccccc1
InChIInChI=1S/C25H28N2O4S/c1-4-19(20-10-6-5-7-11-20)18-26-25(28)21-14-16-22(17-15-21)32(29,30)27(2)23-12-8-9-13-24(23)31-3/h5-17,19H,4,18H2,1-3H3,(H,26,28)
InChIKeyACHOULLDVRMREA-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.44
Rot. Bonds9

About 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide

4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide (PubChem CID 46635569) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
PubChem CID46635569
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
SMILESCCC(CNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1)c1ccccc1
InChIInChI=1S/C25H28N2O4S/c1-4-19(20-10-6-5-7-11-20)18-26-25(28)21-14-16-22(17-15-21)32(29,30)27(2)23-12-8-9-13-24(23)31-3/h5-17,19H,4,18H2,1-3H3,(H,26,28)
InChIKeyACHOULLDVRMREA-UHFFFAOYSA-N
XLogP4.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(diethylsulfamoyl)-N-(2-phenylbutyl)benzamide
CID 43016057
N-(cyclopropylmethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 34821290
N-hexyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 8886328
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide
CID 27298108
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119433863
N-methoxy-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 17476225
N-(3-aminopropyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide;hydrochloride
CID 119408674
N-[cyclopropyl(phenyl)methyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 46513510
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
CID 46520973
N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 39650274
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837936
(2-oxo-1,2-diphenylethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 4599949

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide?
The IUPAC name of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide (CID 46635569) is 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide.
What is the SMILES notation for 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide?
The canonical SMILES for 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide is CCC(CNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1)c1ccccc1.
What is the InChIKey of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide?
The InChIKey is ACHOULLDVRMREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-4-19(20-10-6-5-7-11-20)18-26-25(28)21-14-16-22(17-15-21)32(29,30)27(2)23-12-8-9-13-24(23)31-3/h5-17,19H,4,18H2,1-3H3,(H,26,28).
What are the key properties of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide?
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide has a molecular weight of 452.58 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide is sourced from PubChem (CID 46635569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).