[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate

C19H20N2O5S — CID 3575404

IUPAC[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C19H20N2O5S/c1-13-10-14-6-3-4-9-17(14)21(13)18(22)12-26-19(23)15-7-5-8-16(11-15)27(24,25)20-2/h3-9,11,13,20H,10,12H2,1-2H3
InChIKeyGFIIJTKZYGPIAW-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.73
Rot. Bonds5

About [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate (PubChem CID 3575404) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
PubChem CID3575404
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C19H20N2O5S/c1-13-10-14-6-3-4-9-17(14)21(13)18(22)12-26-19(23)15-7-5-8-16(11-15)27(24,25)20-2/h3-9,11,13,20H,10,12H2,1-2H3
InChIKeyGFIIJTKZYGPIAW-UHFFFAOYSA-N
XLogP1.73
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate (CID 3575404) is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate.
What is the SMILES notation for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The canonical SMILES for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2c3ccccc3CC2C)c1.
What is the InChIKey of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The InChIKey is GFIIJTKZYGPIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-13-10-14-6-3-4-9-17(14)21(13)18(22)12-26-19(23)15-7-5-8-16(11-15)27(24,25)20-2/h3-9,11,13,20H,10,12H2,1-2H3.
What are the key properties of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate has a molecular weight of 388.45 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate is sourced from PubChem (CID 3575404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).