[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate

C19H19FN2O5S — CID 7954274

IUPAC[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
SMILESC[C@H]1Cc2ccccc2N1C(=O)COC(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O5S/c1-13-10-14-4-2-3-5-17(14)22(13)18(23)12-27-19(24)11-21-28(25,26)16-8-6-15(20)7-9-16/h2-9,13,21H,10-12H2,1H3/t13-/m0/s1
InChIKeyDLABSEAWGRKQKV-ZDUSSCGKSA-N
MW406.44 g/mol
LogP1.62
Rot. Bonds6

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

[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate (PubChem CID 7954274) has the molecular formula C19H19FN2O5S and a molecular weight of 406.44 g/mol. Its IUPAC name is [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
PubChem CID7954274
Molecular FormulaC19H19FN2O5S
Molecular Weight406.44 g/mol
Exact Mass406.10
IUPAC Name[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
SMILESC[C@H]1Cc2ccccc2N1C(=O)COC(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O5S/c1-13-10-14-4-2-3-5-17(14)22(13)18(23)12-27-19(24)11-21-28(25,26)16-8-6-15(20)7-9-16/h2-9,13,21H,10-12H2,1H3/t13-/m0/s1
InChIKeyDLABSEAWGRKQKV-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

Analyze [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate with MolForge

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Related Compounds

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate
CID 24980657
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CID 42982393
N-[4-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfamoyl]phenyl]acetamide
CID 113001166
[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate
CID 55705022
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2116728
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 3,5-difluorobenzoate
CID 7925849
4-fluoro-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
CID 113001078
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-fluorobenzoate
CID 18776805
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251664
[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 30926748
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-chlorobenzoyl)amino]acetate
CID 4076792

Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate?
The IUPAC name of [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate (CID 7954274) is [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate is C[C@H]1Cc2ccccc2N1C(=O)COC(=O)CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate?
The InChIKey is DLABSEAWGRKQKV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19FN2O5S/c1-13-10-14-4-2-3-5-17(14)22(13)18(23)12-27-19(24)11-21-28(25,26)16-8-6-15(20)7-9-16/h2-9,13,21H,10-12H2,1H3/t13-/m0/s1.
What are the key properties of [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate?
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate 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-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 7954274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).