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

C14H16N2O4S — CID 7229512

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-methylphenyl)sulfanylacetate
SMILESCc1ccccc1SCC(=O)OCC(=O)N1CCNC1=O
InChIInChI=1S/C14H16N2O4S/c1-10-4-2-3-5-11(10)21-9-13(18)20-8-12(17)16-7-6-15-14(16)19/h2-5H,6-9H2,1H3,(H,15,19)
InChIKeyVTEFPJXJCPDTEC-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.18
Rot. Bonds5

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

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-methylphenyl)sulfanylacetate (PubChem CID 7229512) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-methylphenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-methylphenyl)sulfanylacetate
PubChem CID7229512
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-methylphenyl)sulfanylacetate
SMILESCc1ccccc1SCC(=O)OCC(=O)N1CCNC1=O
InChIInChI=1S/C14H16N2O4S/c1-10-4-2-3-5-11(10)21-9-13(18)20-8-12(17)16-7-6-15-14(16)19/h2-5H,6-9H2,1H3,(H,15,19)
InChIKeyVTEFPJXJCPDTEC-UHFFFAOYSA-N
XLogP1.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.18
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-methylphenyl)sulfanylacetate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-methylphenyl)sulfanylacetate (CID 7229512) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-methylphenyl)sulfanylacetate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-methylphenyl)sulfanylacetate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-methylphenyl)sulfanylacetate is Cc1ccccc1SCC(=O)OCC(=O)N1CCNC1=O.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-methylphenyl)sulfanylacetate?
The InChIKey is VTEFPJXJCPDTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-10-4-2-3-5-11(10)21-9-13(18)20-8-12(17)16-7-6-15-14(16)19/h2-5H,6-9H2,1H3,(H,15,19).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-methylphenyl)sulfanylacetate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-methylphenyl)sulfanylacetate has a molecular weight of 308.36 g/mol, XLogP of 1.18, 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-methylphenyl)sulfanylacetate is sourced from PubChem (CID 7229512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).