3-[(3,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide

C26H27N3O4S — CID 30399937

IUPAC3-[(3,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)ccc2C)c1
InChIInChI=1S/C26H27N3O4S/c1-17-13-18(2)15-22(14-17)28-34(32,33)24-16-20(7-6-19(24)3)26(31)27-21-8-10-23(11-9-21)29-12-4-5-25(29)30/h6-11,13-16,28H,4-5,12H2,1-3H3,(H,27,31)
InChIKeyTZSIJXGJEVIUOL-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.79
Rot. Bonds6

About 3-[(3,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide

3-[(3,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 30399937) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is 3-[(3,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID30399937
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC Name3-[(3,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)ccc2C)c1
InChIInChI=1S/C26H27N3O4S/c1-17-13-18(2)15-22(14-17)28-34(32,33)24-16-20(7-6-19(24)3)26(31)27-21-8-10-23(11-9-21)29-12-4-5-25(29)30/h6-11,13-16,28H,4-5,12H2,1-3H3,(H,27,31)
InChIKeyTZSIJXGJEVIUOL-UHFFFAOYSA-N
XLogP4.79
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.79
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
methyl 4-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzoate
CID 35530952
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 28635843
4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 92685963
3,4-dimethyl-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687280
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 3541229
4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 28578210
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 25434729
4-methyl-3-(phenylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100502974
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
3-(tert-butylsulfamoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 8747935
4-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26127679

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 3-[(3,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 30399937) is 3-[(3,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-[(3,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 3-[(3,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)ccc2C)c1.
What is the InChIKey of 3-[(3,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is TZSIJXGJEVIUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-17-13-18(2)15-22(14-17)28-34(32,33)24-16-20(7-6-19(24)3)26(31)27-21-8-10-23(11-9-21)29-12-4-5-25(29)30/h6-11,13-16,28H,4-5,12H2,1-3H3,(H,27,31).
What are the key properties of 3-[(3,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
3-[(3,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 477.59 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 30399937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).