[2-(methylcarbamoylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate

C13H15FN2O6S — CID 7624040

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate
SMILESCNC(=O)NC(=O)COC(=O)CCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O6S/c1-15-13(19)16-11(17)8-22-12(18)6-7-23(20,21)10-4-2-9(14)3-5-10/h2-5H,6-8H2,1H3,(H2,15,16,17,19)
InChIKeyNMYYLSRHNFQIPU-UHFFFAOYSA-N
MW346.34 g/mol
LogP-0.01
Rot. Bonds6

About [2-(methylcarbamoylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate

[2-(methylcarbamoylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate (PubChem CID 7624040) has the molecular formula C13H15FN2O6S and a molecular weight of 346.34 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate
PubChem CID7624040
Molecular FormulaC13H15FN2O6S
Molecular Weight346.34 g/mol
Exact Mass346.06
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate
SMILESCNC(=O)NC(=O)COC(=O)CCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O6S/c1-15-13(19)16-11(17)8-22-12(18)6-7-23(20,21)10-4-2-9(14)3-5-10/h2-5H,6-8H2,1H3,(H2,15,16,17,19)
InChIKeyNMYYLSRHNFQIPU-UHFFFAOYSA-N
XLogP-0.01
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate (CID 7624040) is [2-(methylcarbamoylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate is CNC(=O)NC(=O)COC(=O)CCS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate?
The InChIKey is NMYYLSRHNFQIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O6S/c1-15-13(19)16-11(17)8-22-12(18)6-7-23(20,21)10-4-2-9(14)3-5-10/h2-5H,6-8H2,1H3,(H2,15,16,17,19).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate?
[2-(methylcarbamoylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate has a molecular weight of 346.34 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate is sourced from PubChem (CID 7624040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).