[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate

C15H18N2O4S — CID 7773164

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
SMILESCc1ccc(CSCC(=O)OCC(=O)N2CCNC2=O)cc1
InChIInChI=1S/C15H18N2O4S/c1-11-2-4-12(5-3-11)9-22-10-14(19)21-8-13(18)17-7-6-16-15(17)20/h2-5H,6-10H2,1H3,(H,16,20)
InChIKeyHLVDEQUSUBNGHY-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.32
Rot. Bonds6

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate (PubChem CID 7773164) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
PubChem CID7773164
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
SMILESCc1ccc(CSCC(=O)OCC(=O)N2CCNC2=O)cc1
InChIInChI=1S/C15H18N2O4S/c1-11-2-4-12(5-3-11)9-22-10-14(19)21-8-13(18)17-7-6-16-15(17)20/h2-5H,6-10H2,1H3,(H,16,20)
InChIKeyHLVDEQUSUBNGHY-UHFFFAOYSA-N
XLogP1.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.32
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-[(4-methylphenyl)methylsulfanyl]acetate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate (CID 7773164) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate is Cc1ccc(CSCC(=O)OCC(=O)N2CCNC2=O)cc1.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate?
The InChIKey is HLVDEQUSUBNGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-11-2-4-12(5-3-11)9-22-10-14(19)21-8-13(18)17-7-6-16-15(17)20/h2-5H,6-10H2,1H3,(H,16,20).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate has a molecular weight of 322.39 g/mol, XLogP of 1.32, 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] 2-[(4-methylphenyl)methylsulfanyl]acetate is sourced from PubChem (CID 7773164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).