[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate

C22H20N2O6S — CID 46644162

IUPAC[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SMILESCC1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C22H20N2O6S/c1-13-8-16-9-17(31(23,28)29)6-7-19(16)24(13)21(26)12-30-22(27)18-10-14-4-2-3-5-15(14)11-20(18)25/h2-7,9-11,13,25H,8,12H2,1H3,(H2,23,28,29)
InChIKeyJSVRNPIPVJYNIP-UHFFFAOYSA-N
MW440.48 g/mol
LogP2.33
Rot. Bonds4

About [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate

[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate (PubChem CID 46644162) has the molecular formula C22H20N2O6S and a molecular weight of 440.48 g/mol. Its IUPAC name is [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
PubChem CID46644162
Molecular FormulaC22H20N2O6S
Molecular Weight440.48 g/mol
Exact Mass440.10
IUPAC Name[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SMILESCC1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C22H20N2O6S/c1-13-8-16-9-17(31(23,28)29)6-7-19(16)24(13)21(26)12-30-22(27)18-10-14-4-2-3-5-15(14)11-20(18)25/h2-7,9-11,13,25H,8,12H2,1H3,(H2,23,28,29)
InChIKeyJSVRNPIPVJYNIP-UHFFFAOYSA-N
XLogP2.33
TPSA127.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate
CID 46671951
[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 46645679
[2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 27349129
[2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate
CID 51567928
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-hydroxybenzoate
CID 7485166
[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46425525
[2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-(1,3-dithian-2-yl)benzoate
CID 26971051
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2110241
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 7365676
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 7366038
1-[2-(2-chloro-4-phenylphenoxy)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 42922267
[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate
CID 55705022

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate (CID 46644162) is [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate is CC1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)c1cc2ccccc2cc1O.
What is the InChIKey of [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The InChIKey is JSVRNPIPVJYNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O6S/c1-13-8-16-9-17(31(23,28)29)6-7-19(16)24(13)21(26)12-30-22(27)18-10-14-4-2-3-5-15(14)11-20(18)25/h2-7,9-11,13,25H,8,12H2,1H3,(H2,23,28,29).
What are the key properties of [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate has a molecular weight of 440.48 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 46644162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).