[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate

C19H18FNO3S — CID 24980657

IUPAC[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate
SMILESCC1Cc2ccccc2N1C(=O)COC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C19H18FNO3S/c1-13-10-14-4-2-3-5-17(14)21(13)18(22)11-24-19(23)12-25-16-8-6-15(20)7-9-16/h2-9,13H,10-12H2,1H3
InChIKeyURODSUJZMOXTKA-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.44
Rot. Bonds5

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

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate (PubChem CID 24980657) has the molecular formula C19H18FNO3S and a molecular weight of 359.42 g/mol. Its IUPAC name is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate
PubChem CID24980657
Molecular FormulaC19H18FNO3S
Molecular Weight359.42 g/mol
Exact Mass359.10
IUPAC Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate
SMILESCC1Cc2ccccc2N1C(=O)COC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C19H18FNO3S/c1-13-10-14-4-2-3-5-17(14)21(13)18(22)11-24-19(23)12-25-16-8-6-15(20)7-9-16/h2-9,13H,10-12H2,1H3
InChIKeyURODSUJZMOXTKA-UHFFFAOYSA-N
XLogP3.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954274
[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
[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-(4-ethoxyphenoxy)acetate
CID 7273989
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2338135
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 4881991
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 2435156
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-phenylphenoxy)acetate
CID 23907050
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-hydroxybenzoate
CID 7485166
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8544547
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619953

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate?
The IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate (CID 24980657) is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate.
What is the SMILES notation for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate?
The canonical SMILES for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate is CC1Cc2ccccc2N1C(=O)COC(=O)CSc1ccc(F)cc1.
What is the InChIKey of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate?
The InChIKey is URODSUJZMOXTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3S/c1-13-10-14-4-2-3-5-17(14)21(13)18(22)11-24-19(23)12-25-16-8-6-15(20)7-9-16/h2-9,13H,10-12H2,1H3.
What are the key properties of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate?
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate has a molecular weight of 359.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 24980657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).