[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(3,4-difluorophenyl)sulfanylacetate

C18H15F2NO3S — CID 35545428

IUPAC[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(3,4-difluorophenyl)sulfanylacetate
SMILESO=C(CSc1ccc(F)c(F)c1)Oc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H15F2NO3S/c19-15-8-7-14(10-16(15)20)25-11-18(23)24-13-5-3-12(4-6-13)21-9-1-2-17(21)22/h3-8,10H,1-2,9,11H2
InChIKeyBUEPLFZNRPMBCO-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.79
Rot. Bonds5

About [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(3,4-difluorophenyl)sulfanylacetate

[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(3,4-difluorophenyl)sulfanylacetate (PubChem CID 35545428) has the molecular formula C18H15F2NO3S and a molecular weight of 363.39 g/mol. Its IUPAC name is [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(3,4-difluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(3,4-difluorophenyl)sulfanylacetate
PubChem CID35545428
Molecular FormulaC18H15F2NO3S
Molecular Weight363.39 g/mol
Exact Mass363.07
IUPAC Name[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(3,4-difluorophenyl)sulfanylacetate
SMILESO=C(CSc1ccc(F)c(F)c1)Oc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H15F2NO3S/c19-15-8-7-14(10-16(15)20)25-11-18(23)24-13-5-3-12(4-6-13)21-9-1-2-17(21)22/h3-8,10H,1-2,9,11H2
InChIKeyBUEPLFZNRPMBCO-UHFFFAOYSA-N
XLogP3.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-difluorophenyl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 27172933
1-[4-[(3,4-difluorophenyl)methoxy]phenyl]pyrrolidin-2-one
CID 141084193
phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 27444483
[4-(2-oxopyrrolidin-1-yl)phenyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 51256909
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8950032
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,5-difluorophenyl)sulfanylacetate
CID 8950271
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(2,6-dichlorophenyl)acetate
CID 35544576
2-(4-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8747158
[4-(2-oxopyrrolidin-1-yl)phenyl] 5-fluoro-2-methylbenzoate
CID 33089114
N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 38513895
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(4-acetamidophenyl)acetate
CID 35545565
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790

Frequently Asked Questions

What is the IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(3,4-difluorophenyl)sulfanylacetate?
The IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(3,4-difluorophenyl)sulfanylacetate (CID 35545428) is [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(3,4-difluorophenyl)sulfanylacetate.
What is the SMILES notation for [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(3,4-difluorophenyl)sulfanylacetate?
The canonical SMILES for [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(3,4-difluorophenyl)sulfanylacetate is O=C(CSc1ccc(F)c(F)c1)Oc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(3,4-difluorophenyl)sulfanylacetate?
The InChIKey is BUEPLFZNRPMBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO3S/c19-15-8-7-14(10-16(15)20)25-11-18(23)24-13-5-3-12(4-6-13)21-9-1-2-17(21)22/h3-8,10H,1-2,9,11H2.
What are the key properties of [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(3,4-difluorophenyl)sulfanylacetate?
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(3,4-difluorophenyl)sulfanylacetate has a molecular weight of 363.39 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(3,4-difluorophenyl)sulfanylacetate is sourced from PubChem (CID 35545428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).