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

C20H19NO4S — CID 9491721

IUPAC[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-phenylsulfanylpropanoate
SMILESC[C@H]1C(=O)Nc2ccc(C(=O)COC(=O)CCSc3ccccc3)cc21
InChIInChI=1S/C20H19NO4S/c1-13-16-11-14(7-8-17(16)21-20(13)24)18(22)12-25-19(23)9-10-26-15-5-3-2-4-6-15/h2-8,11,13H,9-10,12H2,1H3,(H,21,24)/t13-/m1/s1
InChIKeyKAZIHTSELGTKPD-CYBMUJFWSA-N
MW369.44 g/mol
LogP3.65
Rot. Bonds7

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

[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-phenylsulfanylpropanoate (PubChem CID 9491721) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-phenylsulfanylpropanoate.

Molecular Properties

Compound Name[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-phenylsulfanylpropanoate
PubChem CID9491721
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-phenylsulfanylpropanoate
SMILESC[C@H]1C(=O)Nc2ccc(C(=O)COC(=O)CCSc3ccccc3)cc21
InChIInChI=1S/C20H19NO4S/c1-13-16-11-14(7-8-17(16)21-20(13)24)18(22)12-25-19(23)9-10-26-15-5-3-2-4-6-15/h2-8,11,13H,9-10,12H2,1H3,(H,21,24)/t13-/m1/s1
InChIKeyKAZIHTSELGTKPD-CYBMUJFWSA-N
XLogP3.65
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
CID 8559374
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8539890
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 9405569
[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-(4-butylphenyl)acetate
CID 8632825
(3R)-5-[2-(4-fluorophenyl)sulfanylacetyl]-3-methyl-1,3-dihydroindol-2-one
CID 8886329
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 9405935
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate
CID 8566933
[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] 2-(2-methoxy-5-methylphenyl)acetate
CID 8543669
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 8848416
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387319

Frequently Asked Questions

What is the IUPAC name of [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-phenylsulfanylpropanoate?
The IUPAC name of [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-phenylsulfanylpropanoate (CID 9491721) is [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-phenylsulfanylpropanoate.
What is the SMILES notation for [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-phenylsulfanylpropanoate?
The canonical SMILES for [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-phenylsulfanylpropanoate is C[C@H]1C(=O)Nc2ccc(C(=O)COC(=O)CCSc3ccccc3)cc21.
What is the InChIKey of [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-phenylsulfanylpropanoate?
The InChIKey is KAZIHTSELGTKPD-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-13-16-11-14(7-8-17(16)21-20(13)24)18(22)12-25-19(23)9-10-26-15-5-3-2-4-6-15/h2-8,11,13H,9-10,12H2,1H3,(H,21,24)/t13-/m1/s1.
What are the key properties of [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-phenylsulfanylpropanoate?
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-phenylsulfanylpropanoate has a molecular weight of 369.44 g/mol, XLogP of 3.65, 7 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] 3-phenylsulfanylpropanoate is sourced from PubChem (CID 9491721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).