2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-propylbenzamide

C24H25N3O4S — CID 2208841

IUPAC2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H25N3O4S/c1-3-17-25-23(28)19-13-7-9-15-21(19)26-24(29)20-14-8-10-16-22(20)27(2)32(30,31)18-11-5-4-6-12-18/h4-16H,3,17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyVPZQNPHNKQPTAR-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.90
Rot. Bonds8

About 2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-propylbenzamide

2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-propylbenzamide (PubChem CID 2208841) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-propylbenzamide
PubChem CID2208841
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H25N3O4S/c1-3-17-25-23(28)19-13-7-9-15-21(19)26-24(29)20-14-8-10-16-22(20)27(2)32(30,31)18-11-5-4-6-12-18/h4-16H,3,17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyVPZQNPHNKQPTAR-UHFFFAOYSA-N
XLogP3.90
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
N-Benzyl-N-butyl-4-(N-phenylsulfamoyl)benzamide
CID 137796294
USP30 inhibitor 18
CID 142474792
N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
2-(benzenesulfonamido)-N-(thiolan-3-yl)benzamide
CID 2805665
N-(2-Benzoyl-phenyl)-4-[3-(3-piperidin-1-yl-propyl)-ureido]-benzenesulfonamide
CID 24895452
2-(benzylamino)-N-butyl-4-chloro-5-sulfamoylbenzamide
CID 126507891
2-(benzylamino)-4-bromo-N-butyl-5-sulfamoylbenzamide
CID 126508113
N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide
CID 126508254
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
N-methyl-2-(methylamino)-N-(2-phenylethyl)benzamide
CID 10858497
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-propylbenzamide?
The IUPAC name of 2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-propylbenzamide (CID 2208841) is 2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-propylbenzamide.
What is the SMILES notation for 2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-propylbenzamide?
The canonical SMILES for 2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-propylbenzamide?
The InChIKey is VPZQNPHNKQPTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-3-17-25-23(28)19-13-7-9-15-21(19)26-24(29)20-14-8-10-16-22(20)27(2)32(30,31)18-11-5-4-6-12-18/h4-16H,3,17H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-propylbenzamide?
2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-propylbenzamide has a molecular weight of 451.55 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-propylbenzamide is sourced from PubChem (CID 2208841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).