[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2,5-difluorophenyl)sulfanylacetate

C19H15F2NO4S — CID 9001028

IUPAC[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2,5-difluorophenyl)sulfanylacetate
SMILESCN1C(=O)Cc2cc(C(=O)COC(=O)CSc3cc(F)ccc3F)ccc21
InChIInChI=1S/C19H15F2NO4S/c1-22-15-5-2-11(6-12(15)7-18(22)24)16(23)9-26-19(25)10-27-17-8-13(20)3-4-14(17)21/h2-6,8H,7,9-10H2,1H3
InChIKeyOTWUELHNTFYHFP-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.00
Rot. Bonds6

About [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2,5-difluorophenyl)sulfanylacetate

[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2,5-difluorophenyl)sulfanylacetate (PubChem CID 9001028) has the molecular formula C19H15F2NO4S and a molecular weight of 391.40 g/mol. Its IUPAC name is [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2,5-difluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2,5-difluorophenyl)sulfanylacetate
PubChem CID9001028
Molecular FormulaC19H15F2NO4S
Molecular Weight391.40 g/mol
Exact Mass391.07
IUPAC Name[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2,5-difluorophenyl)sulfanylacetate
SMILESCN1C(=O)Cc2cc(C(=O)COC(=O)CSc3cc(F)ccc3F)ccc21
InChIInChI=1S/C19H15F2NO4S/c1-22-15-5-2-11(6-12(15)7-18(22)24)16(23)9-26-19(25)10-27-17-8-13(20)3-4-14(17)21/h2-6,8H,7,9-10H2,1H3
InChIKeyOTWUELHNTFYHFP-UHFFFAOYSA-N
XLogP3.00
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2,5-difluorophenyl)sulfanylacetate with MolForge

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Related Compounds

[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387316
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,5-difluorophenyl)sulfanylacetate
CID 8950271
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 8575012
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 9309792
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 8951668
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 8999661
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9306119
5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one
CID 116915591
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] (E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoate
CID 9001509
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 9060172
5-[2-(2,6-dichlorophenyl)sulfanylacetyl]-1-methyl-3H-indol-2-one
CID 8575723
5-(2-bromo-4-fluorobenzoyl)-1-methyl-3H-indol-2-one
CID 43339447

Frequently Asked Questions

What is the IUPAC name of [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2,5-difluorophenyl)sulfanylacetate?
The IUPAC name of [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2,5-difluorophenyl)sulfanylacetate (CID 9001028) is [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2,5-difluorophenyl)sulfanylacetate.
What is the SMILES notation for [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2,5-difluorophenyl)sulfanylacetate?
The canonical SMILES for [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2,5-difluorophenyl)sulfanylacetate is CN1C(=O)Cc2cc(C(=O)COC(=O)CSc3cc(F)ccc3F)ccc21.
What is the InChIKey of [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2,5-difluorophenyl)sulfanylacetate?
The InChIKey is OTWUELHNTFYHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO4S/c1-22-15-5-2-11(6-12(15)7-18(22)24)16(23)9-26-19(25)10-27-17-8-13(20)3-4-14(17)21/h2-6,8H,7,9-10H2,1H3.
What are the key properties of [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2,5-difluorophenyl)sulfanylacetate?
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2,5-difluorophenyl)sulfanylacetate has a molecular weight of 391.40 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2,5-difluorophenyl)sulfanylacetate is sourced from PubChem (CID 9001028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).