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

C20H15NO4S — CID 8631995

IUPAC[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 1-benzothiophene-2-carboxylate
SMILESC[C@H]1C(=O)Nc2ccc(C(=O)COC(=O)c3cc4ccccc4s3)cc21
InChIInChI=1S/C20H15NO4S/c1-11-14-8-12(6-7-15(14)21-19(11)23)16(22)10-25-20(24)18-9-13-4-2-3-5-17(13)26-18/h2-9,11H,10H2,1H3,(H,21,23)/t11-/m1/s1
InChIKeyQDCFASVXXNEKGY-LLVKDONJSA-N
MW365.41 g/mol
LogP4.00
Rot. Bonds4

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

[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 1-benzothiophene-2-carboxylate (PubChem CID 8631995) has the molecular formula C20H15NO4S and a molecular weight of 365.41 g/mol. Its IUPAC name is [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 1-benzothiophene-2-carboxylate
PubChem CID8631995
Molecular FormulaC20H15NO4S
Molecular Weight365.41 g/mol
Exact Mass365.07
IUPAC Name[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 1-benzothiophene-2-carboxylate
SMILESC[C@H]1C(=O)Nc2ccc(C(=O)COC(=O)c3cc4ccccc4s3)cc21
InChIInChI=1S/C20H15NO4S/c1-11-14-8-12(6-7-15(14)21-19(11)23)16(22)10-25-20(24)18-9-13-4-2-3-5-17(13)26-18/h2-9,11H,10H2,1H3,(H,21,23)/t11-/m1/s1
InChIKeyQDCFASVXXNEKGY-LLVKDONJSA-N
XLogP4.00
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate
CID 8539531
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 9291069
[2-(4-bromophenyl)-2-oxoethyl] 1-benzothiophene-2-carboxylate
CID 7489791
[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] 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
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 1-benzothiophene-2-carboxylate
CID 8508520
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 9491721
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 9341793
[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] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 9285944
(3S)-5-(2-chloroacetyl)-3-methyl-1,3-dihydroindol-2-one
CID 7129467

Frequently Asked Questions

What is the IUPAC name of [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 1-benzothiophene-2-carboxylate?
The IUPAC name of [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 1-benzothiophene-2-carboxylate (CID 8631995) is [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 1-benzothiophene-2-carboxylate.
What is the SMILES notation for [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 1-benzothiophene-2-carboxylate?
The canonical SMILES for [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 1-benzothiophene-2-carboxylate is C[C@H]1C(=O)Nc2ccc(C(=O)COC(=O)c3cc4ccccc4s3)cc21.
What is the InChIKey of [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 1-benzothiophene-2-carboxylate?
The InChIKey is QDCFASVXXNEKGY-LLVKDONJSA-N. The full InChI is InChI=1S/C20H15NO4S/c1-11-14-8-12(6-7-15(14)21-19(11)23)16(22)10-25-20(24)18-9-13-4-2-3-5-17(13)26-18/h2-9,11H,10H2,1H3,(H,21,23)/t11-/m1/s1.
What are the key properties of [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 1-benzothiophene-2-carboxylate?
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 1-benzothiophene-2-carboxylate has a molecular weight of 365.41 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 1-benzothiophene-2-carboxylate is sourced from PubChem (CID 8631995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).