2-methyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-4-oxo-6,7-dihydro-5H-indole-5-carboxamide

C24H24N2O4S — CID 4963196

IUPAC2-methyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-4-oxo-6,7-dihydro-5H-indole-5-carboxamide
SMILESCc1ccc(-n2c(C)cc3c2CCC(C(=O)NS(=O)(=O)c2ccc(C)cc2)C3=O)cc1
InChIInChI=1S/C24H24N2O4S/c1-15-4-8-18(9-5-15)26-17(3)14-21-22(26)13-12-20(23(21)27)24(28)25-31(29,30)19-10-6-16(2)7-11-19/h4-11,14,20H,12-13H2,1-3H3,(H,25,28)
InChIKeyRUPJVBQMRPOHDX-UHFFFAOYSA-N
MW436.53 g/mol
LogP3.65
Rot. Bonds4

About 2-methyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-4-oxo-6,7-dihydro-5H-indole-5-carboxamide

2-methyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-4-oxo-6,7-dihydro-5H-indole-5-carboxamide (PubChem CID 4963196) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-4-oxo-6,7-dihydro-5H-indole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-4-oxo-6,7-dihydro-5H-indole-5-carboxamide
PubChem CID4963196
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name2-methyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-4-oxo-6,7-dihydro-5H-indole-5-carboxamide
SMILESCc1ccc(-n2c(C)cc3c2CCC(C(=O)NS(=O)(=O)c2ccc(C)cc2)C3=O)cc1
InChIInChI=1S/C24H24N2O4S/c1-15-4-8-18(9-5-15)26-17(3)14-21-22(26)13-12-20(23(21)27)24(28)25-31(29,30)19-10-6-16(2)7-11-19/h4-11,14,20H,12-13H2,1-3H3,(H,25,28)
InChIKeyRUPJVBQMRPOHDX-UHFFFAOYSA-N
XLogP3.65
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 46179849
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CID 86016968
(2S)-1-acetyl-N-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 71475860
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide
CID 1350854
1-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylurea
CID 23275206
N-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 43835525
1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
CID 2325885
4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide
CID 110350771
(4aS,8aR)-N-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 27055457
1-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methylphenyl)sulfonylurea
CID 40596016
(4-methylphenyl)sulfonylurea;urea
CID 160676948
1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)sulfonylurea
CID 40596528

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-4-oxo-6,7-dihydro-5H-indole-5-carboxamide?
The IUPAC name of 2-methyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-4-oxo-6,7-dihydro-5H-indole-5-carboxamide (CID 4963196) is 2-methyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-4-oxo-6,7-dihydro-5H-indole-5-carboxamide.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-4-oxo-6,7-dihydro-5H-indole-5-carboxamide?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-4-oxo-6,7-dihydro-5H-indole-5-carboxamide is Cc1ccc(-n2c(C)cc3c2CCC(C(=O)NS(=O)(=O)c2ccc(C)cc2)C3=O)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-4-oxo-6,7-dihydro-5H-indole-5-carboxamide?
The InChIKey is RUPJVBQMRPOHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-15-4-8-18(9-5-15)26-17(3)14-21-22(26)13-12-20(23(21)27)24(28)25-31(29,30)19-10-6-16(2)7-11-19/h4-11,14,20H,12-13H2,1-3H3,(H,25,28).
What are the key properties of 2-methyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-4-oxo-6,7-dihydro-5H-indole-5-carboxamide?
2-methyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-4-oxo-6,7-dihydro-5H-indole-5-carboxamide has a molecular weight of 436.53 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-4-oxo-6,7-dihydro-5H-indole-5-carboxamide is sourced from PubChem (CID 4963196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).