2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]-N-propylbenzamide

C20H25N3O4S — CID 29477109

IUPAC2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1
InChIInChI=1S/C20H25N3O4S/c1-4-12-21-20(25)17-10-5-6-11-18(17)22-19(24)15-8-7-9-16(13-15)28(26,27)23-14(2)3/h5-11,13-14,23H,4,12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyYXDUSFCLELYPPC-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.77
Rot. Bonds8

About 2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]-N-propylbenzamide

2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]-N-propylbenzamide (PubChem CID 29477109) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]-N-propylbenzamide
PubChem CID29477109
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1
InChIInChI=1S/C20H25N3O4S/c1-4-12-21-20(25)17-10-5-6-11-18(17)22-19(24)15-8-7-9-16(13-15)28(26,27)23-14(2)3/h5-11,13-14,23H,4,12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyYXDUSFCLELYPPC-UHFFFAOYSA-N
XLogP2.77
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]-N-propylbenzamide 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

N-ethyl-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide
CID 35304004
N-butyl-2-[[3-(butylsulfamoyl)benzoyl]amino]benzamide
CID 17226854
N-(oxolan-2-ylmethyl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide
CID 43040270
N-(2-propan-2-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 17438081
N-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46689087
2-[(3-fluorobenzoyl)amino]-N-propylbenzamide
CID 8002041
N-[2-(2-amino-2-oxoethyl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55672416
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-N-propylbenzamide
CID 31287521
N-(2-cyanophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 109062122
N-(2,3-dimethylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26538375
2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide
CID 17140344
N-[(2R)-butan-2-yl]-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide
CID 34735238

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]-N-propylbenzamide?
The IUPAC name of 2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]-N-propylbenzamide (CID 29477109) is 2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]-N-propylbenzamide.
What is the SMILES notation for 2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]-N-propylbenzamide?
The canonical SMILES for 2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1.
What is the InChIKey of 2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]-N-propylbenzamide?
The InChIKey is YXDUSFCLELYPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-4-12-21-20(25)17-10-5-6-11-18(17)22-19(24)15-8-7-9-16(13-15)28(26,27)23-14(2)3/h5-11,13-14,23H,4,12H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]-N-propylbenzamide?
2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]-N-propylbenzamide has a molecular weight of 403.50 g/mol, XLogP of 2.77, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]-N-propylbenzamide is sourced from PubChem (CID 29477109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).