4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide

C25H25N3O4S — CID 92685963

IUPAC4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)ccc2C)cc1
InChIInChI=1S/C25H25N3O4S/c1-17-5-13-22(14-6-17)33(31,32)27-23-16-19(8-7-18(23)2)25(30)26-20-9-11-21(12-10-20)28-15-3-4-24(28)29/h5-14,16,27H,3-4,15H2,1-2H3,(H,26,30)
InChIKeyWXUIYCJRPYOPLG-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.48
Rot. Bonds6

About 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide

4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 92685963) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID92685963
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC Name4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)ccc2C)cc1
InChIInChI=1S/C25H25N3O4S/c1-17-5-13-22(14-6-17)33(31,32)27-23-16-19(8-7-18(23)2)25(30)26-20-9-11-21(12-10-20)28-15-3-4-24(28)29/h5-14,16,27H,3-4,15H2,1-2H3,(H,26,30)
InChIKeyWXUIYCJRPYOPLG-UHFFFAOYSA-N
XLogP4.48
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 30379951
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 28635843
N-(5-acetyl-2-methylphenyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110618410
3-[(3,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 30399937
3,4-dimethyl-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687280
5-methyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid
CID 47784387
4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 28578210
N-methyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzamide
CID 26781606
N-(2,5-dimethylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36675659
2,4-dimethyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylbenzohydrazide
CID 8822934
N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 55948695
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 92685963) is 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)ccc2C)cc1.
What is the InChIKey of 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is WXUIYCJRPYOPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-17-5-13-22(14-6-17)33(31,32)27-23-16-19(8-7-18(23)2)25(30)26-20-9-11-21(12-10-20)28-15-3-4-24(28)29/h5-14,16,27H,3-4,15H2,1-2H3,(H,26,30).
What are the key properties of 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 463.56 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 92685963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).