(2R)-1-(benzenesulfonyl)-2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-2,3-dihydroindole-5-carboxamide

C24H25N3O5S2 — CID 100766947

IUPAC(2R)-1-(benzenesulfonyl)-2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-2,3-dihydroindole-5-carboxamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H25N3O5S2/c1-16-9-11-21(33(29,30)25-3)15-22(16)26-24(28)18-10-12-23-19(14-18)13-17(2)27(23)34(31,32)20-7-5-4-6-8-20/h4-12,14-15,17,25H,13H2,1-3H3,(H,26,28)/t17-/m1/s1
InChIKeyUSLAQWVLADBHEL-QGZVFWFLSA-N
MW499.61 g/mol
LogP3.30
Rot. Bonds6

About (2R)-1-(benzenesulfonyl)-2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-2,3-dihydroindole-5-carboxamide

(2R)-1-(benzenesulfonyl)-2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 100766947) has the molecular formula C24H25N3O5S2 and a molecular weight of 499.61 g/mol. Its IUPAC name is (2R)-1-(benzenesulfonyl)-2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name(2R)-1-(benzenesulfonyl)-2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-2,3-dihydroindole-5-carboxamide
PubChem CID100766947
Molecular FormulaC24H25N3O5S2
Molecular Weight499.61 g/mol
Exact Mass499.12
IUPAC Name(2R)-1-(benzenesulfonyl)-2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-2,3-dihydroindole-5-carboxamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H25N3O5S2/c1-16-9-11-21(33(29,30)25-3)15-22(16)26-24(28)18-10-12-23-19(14-18)13-17(2)27(23)34(31,32)20-7-5-4-6-8-20/h4-12,14-15,17,25H,13H2,1-3H3,(H,26,28)/t17-/m1/s1
InChIKeyUSLAQWVLADBHEL-QGZVFWFLSA-N
XLogP3.30
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(5-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670778
(2S)-1-(benzenesulfonyl)-N-(4-bromo-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carboxamide
CID 100801400
(2R)-N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671140
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671162
(2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carboxamide
CID 100766861
ethyl 2-[4-[[1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carbonyl]amino]phenyl]acetate
CID 133158900
(2R)-1-(4-chlorophenyl)sulfonyl-N-(3,5-dichlorophenyl)-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670788
1-(benzenesulfonyl)-2-methyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 133197640
(2S)-N-(3-acetamidophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671274
(2S)-N-cyclopropyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671105
2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
(2R)-1-(benzenesulfonyl)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 100801421

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(benzenesulfonyl)-2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of (2R)-1-(benzenesulfonyl)-2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-2,3-dihydroindole-5-carboxamide (CID 100766947) is (2R)-1-(benzenesulfonyl)-2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for (2R)-1-(benzenesulfonyl)-2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for (2R)-1-(benzenesulfonyl)-2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-2,3-dihydroindole-5-carboxamide is CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of (2R)-1-(benzenesulfonyl)-2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is USLAQWVLADBHEL-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H25N3O5S2/c1-16-9-11-21(33(29,30)25-3)15-22(16)26-24(28)18-10-12-23-19(14-18)13-17(2)27(23)34(31,32)20-7-5-4-6-8-20/h4-12,14-15,17,25H,13H2,1-3H3,(H,26,28)/t17-/m1/s1.
What are the key properties of (2R)-1-(benzenesulfonyl)-2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-2,3-dihydroindole-5-carboxamide?
(2R)-1-(benzenesulfonyl)-2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 499.61 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(benzenesulfonyl)-2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 100766947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).