[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate

C15H18N2O4S — CID 7352564

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
SMILESCc1ccc(SCC(=O)OCC(=O)N2CCNC2=O)cc1C
InChIInChI=1S/C15H18N2O4S/c1-10-3-4-12(7-11(10)2)22-9-14(19)21-8-13(18)17-6-5-16-15(17)20/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,20)
InChIKeyAJWNFWDREXEQNT-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.49
Rot. Bonds5

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate (PubChem CID 7352564) 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-(3,4-dimethylphenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
PubChem CID7352564
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
SMILESCc1ccc(SCC(=O)OCC(=O)N2CCNC2=O)cc1C
InChIInChI=1S/C15H18N2O4S/c1-10-3-4-12(7-11(10)2)22-9-14(19)21-8-13(18)17-6-5-16-15(17)20/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,20)
InChIKeyAJWNFWDREXEQNT-UHFFFAOYSA-N
XLogP1.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.49
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-(3,4-dimethylphenyl)sulfanylacetate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate (CID 7352564) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate is Cc1ccc(SCC(=O)OCC(=O)N2CCNC2=O)cc1C.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate?
The InChIKey is AJWNFWDREXEQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-10-3-4-12(7-11(10)2)22-9-14(19)21-8-13(18)17-6-5-16-15(17)20/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,20).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate has a molecular weight of 322.39 g/mol, XLogP of 1.49, 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-(3,4-dimethylphenyl)sulfanylacetate is sourced from PubChem (CID 7352564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).