N-[2-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]phenyl]pyrrolidine-1-carboxamide

C25H26N4O4S — CID 55972452

IUPACN-[2-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]phenyl]pyrrolidine-1-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3NC(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C25H26N4O4S/c1-18-11-13-20(14-12-18)28-34(32,33)21-8-6-7-19(17-21)24(30)26-22-9-2-3-10-23(22)27-25(31)29-15-4-5-16-29/h2-3,6-14,17,28H,4-5,15-16H2,1H3,(H,26,30)(H,27,31)
InChIKeySDELBGUWAPKEFY-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.68
Rot. Bonds6

About N-[2-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]phenyl]pyrrolidine-1-carboxamide

N-[2-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]phenyl]pyrrolidine-1-carboxamide (PubChem CID 55972452) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is N-[2-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]phenyl]pyrrolidine-1-carboxamide
PubChem CID55972452
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC NameN-[2-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]phenyl]pyrrolidine-1-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3NC(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C25H26N4O4S/c1-18-11-13-20(14-12-18)28-34(32,33)21-8-6-7-19(17-21)24(30)26-22-9-2-3-10-23(22)27-25(31)29-15-4-5-16-29/h2-3,6-14,17,28H,4-5,15-16H2,1H3,(H,26,30)(H,27,31)
InChIKeySDELBGUWAPKEFY-UHFFFAOYSA-N
XLogP4.68
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 2361079
3-(azocane-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 24982887
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2687813
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065731
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(2-methylphenyl)benzamide
CID 109065704
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 2229395
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 35274603
N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 95254693
N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9411412

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]phenyl]pyrrolidine-1-carboxamide (CID 55972452) is N-[2-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]phenyl]pyrrolidine-1-carboxamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3NC(=O)N3CCCC3)c2)cc1.
What is the InChIKey of N-[2-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is SDELBGUWAPKEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-18-11-13-20(14-12-18)28-34(32,33)21-8-6-7-19(17-21)24(30)26-22-9-2-3-10-23(22)27-25(31)29-15-4-5-16-29/h2-3,6-14,17,28H,4-5,15-16H2,1H3,(H,26,30)(H,27,31).
What are the key properties of N-[2-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]phenyl]pyrrolidine-1-carboxamide?
N-[2-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 4.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 55972452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).