[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate

C25H24N2O7S — CID 4883364

IUPAC[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C25H24N2O7S/c1-16-13-17-7-3-5-9-21(17)27(16)24(29)15-34-25(30)19-14-18(11-12-22(19)28)35(31,32)26-20-8-4-6-10-23(20)33-2/h3-12,14,16,26,28H,13,15H2,1-2H3
InChIKeyCKNHEHGGFFJNQZ-UHFFFAOYSA-N
MW496.54 g/mol
LogP3.34
Rot. Bonds7

About [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate (PubChem CID 4883364) has the molecular formula C25H24N2O7S and a molecular weight of 496.54 g/mol. Its IUPAC name is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate
PubChem CID4883364
Molecular FormulaC25H24N2O7S
Molecular Weight496.54 g/mol
Exact Mass496.13
IUPAC Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C25H24N2O7S/c1-16-13-17-7-3-5-9-21(17)27(16)24(29)15-34-25(30)19-14-18(11-12-22(19)28)35(31,32)26-20-8-4-6-10-23(20)33-2/h3-12,14,16,26,28H,13,15H2,1-2H3
InChIKeyCKNHEHGGFFJNQZ-UHFFFAOYSA-N
XLogP3.34
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2,4-Difluoroanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
CID 2123466
5-(2,3-dihydro-1H-indole-1-sulfonyl)-2-methoxybenzoic acid
CID 832238
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 2999240
[2-[(1,1-Dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 3475063
[2-(4-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
CID 3970101
5-(2,3-Dihydro-1H-indole-1-sulfonyl)-2-fluoro-N-(2-methoxyphenyl)benzamide
CID 4650478
[2-[4-(Diethylsulfamoyl)anilino]-2-oxoethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 4830648
[2-Oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-hydroxybenzoate
CID 7798198
[1-Oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] 2-ethoxybenzoate
CID 16252403
N-(4-acetamidophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 2116438
[2-[Benzyl(ethyl)amino]-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 2358467
[2-(4-Methoxyanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
CID 2452505

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate?
The IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate (CID 4883364) is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate is COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)N2c3ccccc3CC2C)c1.
What is the InChIKey of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate?
The InChIKey is CKNHEHGGFFJNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O7S/c1-16-13-17-7-3-5-9-21(17)27(16)24(29)15-34-25(30)19-14-18(11-12-22(19)28)35(31,32)26-20-8-4-6-10-23(20)33-2/h3-12,14,16,26,28H,13,15H2,1-2H3.
What are the key properties of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate?
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate has a molecular weight of 496.54 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 4883364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).