[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate

C19H19FN2O5S — CID 2562653

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C19H19FN2O5S/c1-13(21-28(25,26)17-9-5-3-7-15(17)20)19(24)27-12-18(23)22-11-10-14-6-2-4-8-16(14)22/h2-9,13,21H,10-12H2,1H3/t13-/m0/s1
InChIKeyXRFHJMDRVSTWBH-ZDUSSCGKSA-N
MW406.44 g/mol
LogP1.62
Rot. Bonds6

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate (PubChem CID 2562653) has the molecular formula C19H19FN2O5S and a molecular weight of 406.44 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
PubChem CID2562653
Molecular FormulaC19H19FN2O5S
Molecular Weight406.44 g/mol
Exact Mass406.10
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C19H19FN2O5S/c1-13(21-28(25,26)17-9-5-3-7-15(17)20)19(24)27-12-18(23)22-11-10-14-6-2-4-8-16(14)22/h2-9,13,21H,10-12H2,1H3/t13-/m0/s1
InChIKeyXRFHJMDRVSTWBH-ZDUSSCGKSA-N
XLogP1.62
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 3882778
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 16243031
(2-Anilino-2-oxoethyl) 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2338780
2-[(4-Methylphenyl)sulfonylamino]acetic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester
CID 2347404
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 2549829
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 2-[(2-bromophenyl)sulfonylamino]acetate
CID 2551446
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 2571370
[2-Oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 4422973
[2-(3-ethoxypropylamino)-2-oxoethyl] (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate
CID 6061949
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 6215997
[1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 6217722
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 7168727

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate (CID 2562653) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate is C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)N1CCc2ccccc21.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
The InChIKey is XRFHJMDRVSTWBH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19FN2O5S/c1-13(21-28(25,26)17-9-5-3-7-15(17)20)19(24)27-12-18(23)22-11-10-14-6-2-4-8-16(14)22/h2-9,13,21H,10-12H2,1H3/t13-/m0/s1.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate has a molecular weight of 406.44 g/mol, XLogP of 1.62, 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] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 2562653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).