[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate

C13H13FN2O4S — CID 7355079

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESO=C(CSc1ccccc1F)OCC(=O)N1CCNC1=O
InChIInChI=1S/C13H13FN2O4S/c14-9-3-1-2-4-10(9)21-8-12(18)20-7-11(17)16-6-5-15-13(16)19/h1-4H,5-8H2,(H,15,19)
InChIKeyIHFPGSOCHGLKOB-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.01
Rot. Bonds5

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate (PubChem CID 7355079) has the molecular formula C13H13FN2O4S and a molecular weight of 312.32 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate
PubChem CID7355079
Molecular FormulaC13H13FN2O4S
Molecular Weight312.32 g/mol
Exact Mass312.06
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESO=C(CSc1ccccc1F)OCC(=O)N1CCNC1=O
InChIInChI=1S/C13H13FN2O4S/c14-9-3-1-2-4-10(9)21-8-12(18)20-7-11(17)16-6-5-15-13(16)19/h1-4H,5-8H2,(H,15,19)
InChIKeyIHFPGSOCHGLKOB-UHFFFAOYSA-N
XLogP1.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate (CID 7355079) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate is O=C(CSc1ccccc1F)OCC(=O)N1CCNC1=O.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate?
The InChIKey is IHFPGSOCHGLKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4S/c14-9-3-1-2-4-10(9)21-8-12(18)20-7-11(17)16-6-5-15-13(16)19/h1-4H,5-8H2,(H,15,19).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate has a molecular weight of 312.32 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 7355079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).