[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate

C20H14FNO4S — CID 8539531

IUPAC[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate
SMILESC[C@@H]1C(=O)Nc2ccc(C(=O)COC(=O)c3cc4cc(F)ccc4s3)cc21
InChIInChI=1S/C20H14FNO4S/c1-10-14-7-11(2-4-15(14)22-19(10)24)16(23)9-26-20(25)18-8-12-6-13(21)3-5-17(12)27-18/h2-8,10H,9H2,1H3,(H,22,24)/t10-/m0/s1
InChIKeyIMCVSZIHIPKFFD-JTQLQIEISA-N
MW383.40 g/mol
LogP4.14
Rot. Bonds4

About [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate

[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate (PubChem CID 8539531) has the molecular formula C20H14FNO4S and a molecular weight of 383.40 g/mol. Its IUPAC name is [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate
PubChem CID8539531
Molecular FormulaC20H14FNO4S
Molecular Weight383.40 g/mol
Exact Mass383.06
IUPAC Name[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate
SMILESC[C@@H]1C(=O)Nc2ccc(C(=O)COC(=O)c3cc4cc(F)ccc4s3)cc21
InChIInChI=1S/C20H14FNO4S/c1-10-14-7-11(2-4-15(14)22-19(10)24)16(23)9-26-20(25)18-8-12-6-13(21)3-5-17(12)27-18/h2-8,10H,9H2,1H3,(H,22,24)/t10-/m0/s1
InChIKeyIMCVSZIHIPKFFD-JTQLQIEISA-N
XLogP4.14
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 1-benzothiophene-2-carboxylate
CID 8631995
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387319
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 9291069
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] adamantane-1-carboxylate
CID 9017892
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8539890
ethyl 5-fluoro-1-benzothiophene-2-carboxylate
CID 23261724
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 9290380
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate
CID 8563234
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 9081901
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 4-pentoxybenzoate
CID 9202639
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 9341793
(3R)-5-[2-(4-fluorophenyl)sulfanylacetyl]-3-methyl-1,3-dihydroindol-2-one
CID 8886329

Frequently Asked Questions

What is the IUPAC name of [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate?
The IUPAC name of [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate (CID 8539531) is [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate.
What is the SMILES notation for [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate?
The canonical SMILES for [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate is C[C@@H]1C(=O)Nc2ccc(C(=O)COC(=O)c3cc4cc(F)ccc4s3)cc21.
What is the InChIKey of [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate?
The InChIKey is IMCVSZIHIPKFFD-JTQLQIEISA-N. The full InChI is InChI=1S/C20H14FNO4S/c1-10-14-7-11(2-4-15(14)22-19(10)24)16(23)9-26-20(25)18-8-12-6-13(21)3-5-17(12)27-18/h2-8,10H,9H2,1H3,(H,22,24)/t10-/m0/s1.
What are the key properties of [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate?
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate has a molecular weight of 383.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 8539531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).