[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

C19H20N2O5S — CID 2347404

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C19H20N2O5S/c1-14-6-8-16(9-7-14)27(24,25)20-12-19(23)26-13-18(22)21-11-10-15-4-2-3-5-17(15)21/h2-9,20H,10-13H2,1H3
InChIKeyOWJIQEKTENFGED-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.41
Rot. Bonds6

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 2347404) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID2347404
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C19H20N2O5S/c1-14-6-8-16(9-7-14)27(24,25)20-12-19(23)26-13-18(22)21-11-10-15-4-2-3-5-17(15)21/h2-9,20H,10-13H2,1H3
InChIKeyOWJIQEKTENFGED-UHFFFAOYSA-N
XLogP1.41
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (CID 2347404) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is OWJIQEKTENFGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-14-6-8-16(9-7-14)27(24,25)20-12-19(23)26-13-18(22)21-11-10-15-4-2-3-5-17(15)21/h2-9,20H,10-13H2,1H3.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 388.45 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 2347404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).