2-[[4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzoyl]amino]-N-propylbenzamide

C25H26ClN3O4S — CID 126328223

IUPAC2-[[4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C25H26ClN3O4S/c1-3-16-27-25(31)22-6-4-5-7-23(22)28-24(30)19-10-14-21(15-11-19)29(34(2,32)33)17-18-8-12-20(26)13-9-18/h4-15H,3,16-17H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyWEYGZRJWSXYQBR-UHFFFAOYSA-N
MW500.02 g/mol
LogP4.70
Rot. Bonds9

About 2-[[4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzoyl]amino]-N-propylbenzamide

2-[[4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzoyl]amino]-N-propylbenzamide (PubChem CID 126328223) has the molecular formula C25H26ClN3O4S and a molecular weight of 500.02 g/mol. Its IUPAC name is 2-[[4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzoyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[[4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzoyl]amino]-N-propylbenzamide
PubChem CID126328223
Molecular FormulaC25H26ClN3O4S
Molecular Weight500.02 g/mol
Exact Mass499.13
IUPAC Name2-[[4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C25H26ClN3O4S/c1-3-16-27-25(31)22-6-4-5-7-23(22)28-24(30)19-10-14-21(15-11-19)29(34(2,32)33)17-18-8-12-20(26)13-9-18/h4-15H,3,16-17H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyWEYGZRJWSXYQBR-UHFFFAOYSA-N
XLogP4.70
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.02
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethylphenyl)benzamide
CID 1363267
2-[[4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzoyl]amino]-N-(3-methoxypropyl)benzamide
CID 19062210
N-(3-chloro-2-methylphenyl)-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 1357728
2-[[4-[benzyl(methylsulfonyl)amino]benzoyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 126118513
2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]benzamide
CID 23821515
2-[[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 126118795
N-[(4-chlorophenyl)methyl]-N-[4-[[1-(2-hydroxyphenyl)ethenylamino]carbamoyl]phenyl]methanesulfonamide
CID 2430740
2-[[4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 1316910
N-[(2-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 1210619
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 23761147
N-(2-bromophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1326540
2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-propylbenzamide
CID 38097121

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzoyl]amino]-N-propylbenzamide?
The IUPAC name of 2-[[4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzoyl]amino]-N-propylbenzamide (CID 126328223) is 2-[[4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzoyl]amino]-N-propylbenzamide.
What is the SMILES notation for 2-[[4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzoyl]amino]-N-propylbenzamide?
The canonical SMILES for 2-[[4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzoyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[[4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzoyl]amino]-N-propylbenzamide?
The InChIKey is WEYGZRJWSXYQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O4S/c1-3-16-27-25(31)22-6-4-5-7-23(22)28-24(30)19-10-14-21(15-11-19)29(34(2,32)33)17-18-8-12-20(26)13-9-18/h4-15H,3,16-17H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 2-[[4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzoyl]amino]-N-propylbenzamide?
2-[[4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzoyl]amino]-N-propylbenzamide has a molecular weight of 500.02 g/mol, XLogP of 4.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzoyl]amino]-N-propylbenzamide is sourced from PubChem (CID 126328223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).