1-(2,4-dimethylphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide

C26H27N3O4S — CID 17152171

IUPAC1-(2,4-dimethylphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC(=O)N(c4ccc(C)cc4C)C3)cc2)cc1
InChIInChI=1S/C26H27N3O4S/c1-17-4-7-22(8-5-17)28-34(32,33)23-11-9-21(10-12-23)27-26(31)20-15-25(30)29(16-20)24-13-6-18(2)14-19(24)3/h4-14,20,28H,15-16H2,1-3H3,(H,27,31)
InChIKeyGTLCXSMAUVGXDT-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.40
Rot. Bonds6

About 1-(2,4-dimethylphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide

1-(2,4-dimethylphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 17152171) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID17152171
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC Name1-(2,4-dimethylphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC(=O)N(c4ccc(C)cc4C)C3)cc2)cc1
InChIInChI=1S/C26H27N3O4S/c1-17-4-7-22(8-5-17)28-34(32,33)23-11-9-21(10-12-23)27-26(31)20-15-25(30)29(16-20)24-13-6-18(2)14-19(24)3/h4-14,20,28H,15-16H2,1-3H3,(H,27,31)
InChIKeyGTLCXSMAUVGXDT-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 17152088
1-(2,4-dimethylphenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17152203
1-(2,4-dimethylphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113186070
(3S)-1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220441
1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160137
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17152213
(3R)-1-(3-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40932410
1-(2,5-dimethylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 17151831
1-(1,3-benzodioxol-5-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55581237
(3R)-N-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056162
(3S)-1-(2,5-dimethylphenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1102102
1-(2,4-dimethylphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 17152230

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 17152171) is 1-(2,4-dimethylphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC(=O)N(c4ccc(C)cc4C)C3)cc2)cc1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GTLCXSMAUVGXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-17-4-7-22(8-5-17)28-34(32,33)23-11-9-21(10-12-23)27-26(31)20-15-25(30)29(16-20)24-13-6-18(2)14-19(24)3/h4-14,20,28H,15-16H2,1-3H3,(H,27,31).
What are the key properties of 1-(2,4-dimethylphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(2,4-dimethylphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17152171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).