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

C14H17FN2O4S — CID 7355020

IUPAC[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESCC(C)NC(=O)NC(=O)COC(=O)CSc1ccccc1F
InChIInChI=1S/C14H17FN2O4S/c1-9(2)16-14(20)17-12(18)7-21-13(19)8-22-11-6-4-3-5-10(11)15/h3-6,9H,7-8H2,1-2H3,(H2,16,17,18,20)
InChIKeyRWCZQKPMNLJGNS-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.70
Rot. Bonds6

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

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfanylacetate (PubChem CID 7355020) has the molecular formula C14H17FN2O4S and a molecular weight of 328.37 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfanylacetate
PubChem CID7355020
Molecular FormulaC14H17FN2O4S
Molecular Weight328.37 g/mol
Exact Mass328.09
IUPAC Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESCC(C)NC(=O)NC(=O)COC(=O)CSc1ccccc1F
InChIInChI=1S/C14H17FN2O4S/c1-9(2)16-14(20)17-12(18)7-21-13(19)8-22-11-6-4-3-5-10(11)15/h3-6,9H,7-8H2,1-2H3,(H2,16,17,18,20)
InChIKeyRWCZQKPMNLJGNS-UHFFFAOYSA-N
XLogP1.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.70
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-fluorophenyl)sulfanylacetate?
The IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfanylacetate (CID 7355020) is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfanylacetate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfanylacetate?
The canonical SMILES for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfanylacetate is CC(C)NC(=O)NC(=O)COC(=O)CSc1ccccc1F.
What is the InChIKey of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfanylacetate?
The InChIKey is RWCZQKPMNLJGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4S/c1-9(2)16-14(20)17-12(18)7-21-13(19)8-22-11-6-4-3-5-10(11)15/h3-6,9H,7-8H2,1-2H3,(H2,16,17,18,20).
What are the key properties of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfanylacetate?
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfanylacetate has a molecular weight of 328.37 g/mol, XLogP of 1.70, 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-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 7355020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).