[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,5-difluorophenyl)sulfanylacetate

C20H17F2NO4S — CID 8950271

IUPAC[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,5-difluorophenyl)sulfanylacetate
SMILESO=C(CSc1cc(F)ccc1F)OCC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H17F2NO4S/c21-14-5-8-16(22)18(10-14)28-12-20(26)27-11-17(24)13-3-6-15(7-4-13)23-9-1-2-19(23)25/h3-8,10H,1-2,9,11-12H2
InChIKeyFLXIQRNNGZBBIH-UHFFFAOYSA-N
MW405.42 g/mol
LogP3.61
Rot. Bonds7

About [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,5-difluorophenyl)sulfanylacetate

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,5-difluorophenyl)sulfanylacetate (PubChem CID 8950271) has the molecular formula C20H17F2NO4S and a molecular weight of 405.42 g/mol. Its IUPAC name is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,5-difluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,5-difluorophenyl)sulfanylacetate
PubChem CID8950271
Molecular FormulaC20H17F2NO4S
Molecular Weight405.42 g/mol
Exact Mass405.08
IUPAC Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,5-difluorophenyl)sulfanylacetate
SMILESO=C(CSc1cc(F)ccc1F)OCC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H17F2NO4S/c21-14-5-8-16(22)18(10-14)28-12-20(26)27-11-17(24)13-3-6-15(7-4-13)23-9-1-2-19(23)25/h3-8,10H,1-2,9,11-12H2
InChIKeyFLXIQRNNGZBBIH-UHFFFAOYSA-N
XLogP3.61
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8950032
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2,5-difluorophenyl)sulfanylacetate
CID 9001028
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(3,4-dimethylphenyl)acetate
CID 8850092
[2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3342322
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-hydroxybenzoate
CID 8647274
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate
CID 8648324
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 9128794
[2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3557850
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8883095
1-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]pyrrolidin-2-one
CID 8750865
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(3,4-difluorophenyl)sulfanylacetate
CID 35545428
[2-(3-fluorophenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8678174

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,5-difluorophenyl)sulfanylacetate?
The IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,5-difluorophenyl)sulfanylacetate (CID 8950271) is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,5-difluorophenyl)sulfanylacetate.
What is the SMILES notation for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,5-difluorophenyl)sulfanylacetate?
The canonical SMILES for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,5-difluorophenyl)sulfanylacetate is O=C(CSc1cc(F)ccc1F)OCC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,5-difluorophenyl)sulfanylacetate?
The InChIKey is FLXIQRNNGZBBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO4S/c21-14-5-8-16(22)18(10-14)28-12-20(26)27-11-17(24)13-3-6-15(7-4-13)23-9-1-2-19(23)25/h3-8,10H,1-2,9,11-12H2.
What are the key properties of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,5-difluorophenyl)sulfanylacetate?
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,5-difluorophenyl)sulfanylacetate has a molecular weight of 405.42 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,5-difluorophenyl)sulfanylacetate is sourced from PubChem (CID 8950271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).