[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate

C20H20N2O6S — CID 8954805

IUPAC[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)CC(=O)N3C)cc1
InChIInChI=1S/C20H20N2O6S/c1-3-21-29(26,27)16-7-4-13(5-8-16)20(25)28-12-18(23)14-6-9-17-15(10-14)11-19(24)22(17)2/h4-10,21H,3,11-12H2,1-2H3
InChIKeyWAEBUQVOZGWVDN-UHFFFAOYSA-N
MW416.46 g/mol
LogP1.54
Rot. Bonds7

About [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate

[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate (PubChem CID 8954805) has the molecular formula C20H20N2O6S and a molecular weight of 416.46 g/mol. Its IUPAC name is [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
PubChem CID8954805
Molecular FormulaC20H20N2O6S
Molecular Weight416.46 g/mol
Exact Mass416.10
IUPAC Name[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)CC(=O)N3C)cc1
InChIInChI=1S/C20H20N2O6S/c1-3-21-29(26,27)16-7-4-13(5-8-16)20(25)28-12-18(23)14-6-9-17-15(10-14)11-19(24)22(17)2/h4-10,21H,3,11-12H2,1-2H3
InChIKeyWAEBUQVOZGWVDN-UHFFFAOYSA-N
XLogP1.54
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate with MolForge

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Related Compounds

[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387316
(2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate
CID 7828149
2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]oxyacetamide
CID 115992115
[2-(2,4-dimethylphenyl)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7828114
N-[2-(ethylamino)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 62664588
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9306119
[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7828192
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 9309859
N-[(4-ethylphenyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110779553
5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one
CID 116915591
[2-(cyclopropylamino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 40571054
N-[2-(diethylamino)propyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 112502246

Frequently Asked Questions

What is the IUPAC name of [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate?
The IUPAC name of [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate (CID 8954805) is [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate?
The canonical SMILES for [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate is CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)CC(=O)N3C)cc1.
What is the InChIKey of [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate?
The InChIKey is WAEBUQVOZGWVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6S/c1-3-21-29(26,27)16-7-4-13(5-8-16)20(25)28-12-18(23)14-6-9-17-15(10-14)11-19(24)22(17)2/h4-10,21H,3,11-12H2,1-2H3.
What are the key properties of [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate?
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate has a molecular weight of 416.46 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate is sourced from PubChem (CID 8954805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).