[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-methylphenyl)sulfanylacetate

C15H20N2O4S — CID 7229491

IUPAC[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-methylphenyl)sulfanylacetate
SMILESCc1ccccc1SCC(=O)OCC(=O)NC(=O)NC(C)C
InChIInChI=1S/C15H20N2O4S/c1-10(2)16-15(20)17-13(18)8-21-14(19)9-22-12-7-5-4-6-11(12)3/h4-7,10H,8-9H2,1-3H3,(H2,16,17,18,20)
InChIKeyXZZDJPATUAATEY-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.86
Rot. Bonds6

About [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-methylphenyl)sulfanylacetate

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-methylphenyl)sulfanylacetate (PubChem CID 7229491) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-methylphenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-methylphenyl)sulfanylacetate
PubChem CID7229491
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-methylphenyl)sulfanylacetate
SMILESCc1ccccc1SCC(=O)OCC(=O)NC(=O)NC(C)C
InChIInChI=1S/C15H20N2O4S/c1-10(2)16-15(20)17-13(18)8-21-14(19)9-22-12-7-5-4-6-11(12)3/h4-7,10H,8-9H2,1-3H3,(H2,16,17,18,20)
InChIKeyXZZDJPATUAATEY-UHFFFAOYSA-N
XLogP1.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-methylphenyl)sulfanylacetate?
The IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-methylphenyl)sulfanylacetate (CID 7229491) is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-methylphenyl)sulfanylacetate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-methylphenyl)sulfanylacetate?
The canonical SMILES for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-methylphenyl)sulfanylacetate is Cc1ccccc1SCC(=O)OCC(=O)NC(=O)NC(C)C.
What is the InChIKey of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-methylphenyl)sulfanylacetate?
The InChIKey is XZZDJPATUAATEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-10(2)16-15(20)17-13(18)8-21-14(19)9-22-12-7-5-4-6-11(12)3/h4-7,10H,8-9H2,1-3H3,(H2,16,17,18,20).
What are the key properties of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-methylphenyl)sulfanylacetate?
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-methylphenyl)sulfanylacetate has a molecular weight of 324.40 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-methylphenyl)sulfanylacetate is sourced from PubChem (CID 7229491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).