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

C20H14ClNO4S — CID 9291069

IUPAC[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate
SMILESC[C@@H]1C(=O)Nc2ccc(C(=O)COC(=O)c3sc4ccccc4c3Cl)cc21
InChIInChI=1S/C20H14ClNO4S/c1-10-13-8-11(6-7-14(13)22-19(10)24)15(23)9-26-20(25)18-17(21)12-4-2-3-5-16(12)27-18/h2-8,10H,9H2,1H3,(H,22,24)/t10-/m0/s1
InChIKeyIOQOCYCTPLCSQG-JTQLQIEISA-N
MW399.86 g/mol
LogP4.65
Rot. Bonds4

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

[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate (PubChem CID 9291069) has the molecular formula C20H14ClNO4S and a molecular weight of 399.86 g/mol. Its IUPAC name is [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate
PubChem CID9291069
Molecular FormulaC20H14ClNO4S
Molecular Weight399.86 g/mol
Exact Mass399.03
IUPAC Name[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate
SMILESC[C@@H]1C(=O)Nc2ccc(C(=O)COC(=O)c3sc4ccccc4c3Cl)cc21
InChIInChI=1S/C20H14ClNO4S/c1-10-13-8-11(6-7-14(13)22-19(10)24)15(23)9-26-20(25)18-17(21)12-4-2-3-5-16(12)27-18/h2-8,10H,9H2,1H3,(H,22,24)/t10-/m0/s1
InChIKeyIOQOCYCTPLCSQG-JTQLQIEISA-N
XLogP4.65
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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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-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate
CID 8539531
[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] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 9285944
(2-amino-2-oxoethyl) 3-chloro-1-benzothiophene-2-carboxylate
CID 2357135
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 9290380
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-methyl-1-benzothiophene-2-carboxylate
CID 8666581
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 9081901
[2-(ethylamino)-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 2693362
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 4-pentoxybenzoate
CID 9202639
(3S)-5-(2-chloroacetyl)-3-methyl-1,3-dihydroindol-2-one
CID 7129467
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 9491721

Frequently Asked Questions

What is the IUPAC name of [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate?
The IUPAC name of [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate (CID 9291069) is [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate.
What is the SMILES notation for [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate?
The canonical SMILES for [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate is C[C@@H]1C(=O)Nc2ccc(C(=O)COC(=O)c3sc4ccccc4c3Cl)cc21.
What is the InChIKey of [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate?
The InChIKey is IOQOCYCTPLCSQG-JTQLQIEISA-N. The full InChI is InChI=1S/C20H14ClNO4S/c1-10-13-8-11(6-7-14(13)22-19(10)24)15(23)9-26-20(25)18-17(21)12-4-2-3-5-16(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] 3-chloro-1-benzothiophene-2-carboxylate?
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate has a molecular weight of 399.86 g/mol, XLogP of 4.65, 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] 3-chloro-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 9291069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).