[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate

C14H15FN2O4S — CID 7972391

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate
SMILESO=C(CCSc1ccc(F)cc1)OCC(=O)N1CCNC1=O
InChIInChI=1S/C14H15FN2O4S/c15-10-1-3-11(4-2-10)22-8-5-13(19)21-9-12(18)17-7-6-16-14(17)20/h1-4H,5-9H2,(H,16,20)
InChIKeyQMIUZALRMWGZCO-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.40
Rot. Bonds6

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate (PubChem CID 7972391) has the molecular formula C14H15FN2O4S and a molecular weight of 326.35 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate
PubChem CID7972391
Molecular FormulaC14H15FN2O4S
Molecular Weight326.35 g/mol
Exact Mass326.07
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate
SMILESO=C(CCSc1ccc(F)cc1)OCC(=O)N1CCNC1=O
InChIInChI=1S/C14H15FN2O4S/c15-10-1-3-11(4-2-10)22-8-5-13(19)21-9-12(18)17-7-6-16-14(17)20/h1-4H,5-9H2,(H,16,20)
InChIKeyQMIUZALRMWGZCO-UHFFFAOYSA-N
XLogP1.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-fluorophenyl)acetate
CID 8612963
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 55312569
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7795699
1-[2-(4-aminophenyl)sulfanylacetyl]imidazolidin-2-one
CID 43299355
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-phenylacetate
CID 7874639
hydrazinyl 3-(4-fluorophenyl)sulfanylpropanoate
CID 66338804
propyl 3-(4-fluorophenyl)sulfanylpropanoate
CID 78907883
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7740013
3-ethyl-4-[3-(4-fluorophenyl)sulfanylpropanoyl]piperazin-2-one
CID 63600129
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773164
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 11935099
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8527890

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate (CID 7972391) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate is O=C(CCSc1ccc(F)cc1)OCC(=O)N1CCNC1=O.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
The InChIKey is QMIUZALRMWGZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4S/c15-10-1-3-11(4-2-10)22-8-5-13(19)21-9-12(18)17-7-6-16-14(17)20/h1-4H,5-9H2,(H,16,20).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate has a molecular weight of 326.35 g/mol, XLogP of 1.40, 6 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] 3-(4-fluorophenyl)sulfanylpropanoate is sourced from PubChem (CID 7972391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).