2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide

C25H27N3O4S — CID 2205012

IUPAC2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H27N3O4S/c1-4-17-26-24(29)20-9-5-7-11-22(20)27-25(30)21-10-6-8-12-23(21)28(3)33(31,32)19-15-13-18(2)14-16-19/h5-16H,4,17H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyUVZQNEGMGHNYBZ-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.21
Rot. Bonds8

About 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide

2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide (PubChem CID 2205012) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide
PubChem CID2205012
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H27N3O4S/c1-4-17-26-24(29)20-9-5-7-11-22(20)27-25(30)21-10-6-8-12-23(21)28(3)33(31,32)19-15-13-18(2)14-16-19/h5-16H,4,17H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyUVZQNEGMGHNYBZ-UHFFFAOYSA-N
XLogP4.21
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]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-Benzyl-N-butyl-4-(N-phenylsulfamoyl)benzamide
CID 137796294
USP30 inhibitor 18
CID 142474792
2-(benzenesulfonamido)-N-(thiolan-3-yl)benzamide
CID 2805665
2-(cyclohexanecarbonylamino)-N-[2-oxo-2-[[(1S,2R)-2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]-5-(trifluoromethyl)benzamide
CID 24801689
N-(2-Benzoyl-phenyl)-4-[3-(3-piperidin-1-yl-propyl)-ureido]-benzenesulfonamide
CID 24895452
N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide
CID 126508254
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}-3-phenylpropanamide
CID 2812928
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 1041096
3-phenyl-N-{2-[N-benzylcarbamoyl]phenyl}propanamide
CID 1277922
2-[methyl(methylsulfonyl)amino]-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 1228113
N-butyl-4-[(phenylsulfonyl)amino]benzamide
CID 2224401

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide?
The IUPAC name of 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide (CID 2205012) is 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide.
What is the SMILES notation for 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide?
The canonical SMILES for 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide?
The InChIKey is UVZQNEGMGHNYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-4-17-26-24(29)20-9-5-7-11-22(20)27-25(30)21-10-6-8-12-23(21)28(3)33(31,32)19-15-13-18(2)14-16-19/h5-16H,4,17H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide?
2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide has a molecular weight of 465.58 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-propylbenzamide is sourced from PubChem (CID 2205012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).