[2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate

C12H13FN2O4S — CID 7355131

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESCNC(=O)NC(=O)COC(=O)CSc1ccccc1F
InChIInChI=1S/C12H13FN2O4S/c1-14-12(18)15-10(16)6-19-11(17)7-20-9-5-3-2-4-8(9)13/h2-5H,6-7H2,1H3,(H2,14,15,16,18)
InChIKeyHQWFBFSYSMOENL-UHFFFAOYSA-N
MW300.31 g/mol
LogP0.92
Rot. Bonds5

About [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate

[2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate (PubChem CID 7355131) has the molecular formula C12H13FN2O4S and a molecular weight of 300.31 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
PubChem CID7355131
Molecular FormulaC12H13FN2O4S
Molecular Weight300.31 g/mol
Exact Mass300.06
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESCNC(=O)NC(=O)COC(=O)CSc1ccccc1F
InChIInChI=1S/C12H13FN2O4S/c1-14-12(18)15-10(16)6-19-11(17)7-20-9-5-3-2-4-8(9)13/h2-5H,6-7H2,1H3,(H2,14,15,16,18)
InChIKeyHQWFBFSYSMOENL-UHFFFAOYSA-N
XLogP0.92
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate (CID 7355131) is [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate is CNC(=O)NC(=O)COC(=O)CSc1ccccc1F.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The InChIKey is HQWFBFSYSMOENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O4S/c1-14-12(18)15-10(16)6-19-11(17)7-20-9-5-3-2-4-8(9)13/h2-5H,6-7H2,1H3,(H2,14,15,16,18).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate has a molecular weight of 300.31 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 7355131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).