[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate

C15H19FN2O4S — CID 7650883

IUPAC[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate
SMILESCC(C)NC(=O)NC(=O)COC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C15H19FN2O4S/c1-10(2)17-15(21)18-13(19)9-22-14(20)7-8-23-12-5-3-11(16)4-6-12/h3-6,10H,7-9H2,1-2H3,(H2,17,18,19,21)
InChIKeyKEAFCRLNEIMXLP-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.09
Rot. Bonds7

About [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate (PubChem CID 7650883) has the molecular formula C15H19FN2O4S and a molecular weight of 342.39 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate
PubChem CID7650883
Molecular FormulaC15H19FN2O4S
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate
SMILESCC(C)NC(=O)NC(=O)COC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C15H19FN2O4S/c1-10(2)17-15(21)18-13(19)9-22-14(20)7-8-23-12-5-3-11(16)4-6-12/h3-6,10H,7-9H2,1-2H3,(H2,17,18,19,21)
InChIKeyKEAFCRLNEIMXLP-UHFFFAOYSA-N
XLogP2.09
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
The IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate (CID 7650883) is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
The canonical SMILES for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate is CC(C)NC(=O)NC(=O)COC(=O)CCSc1ccc(F)cc1.
What is the InChIKey of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
The InChIKey is KEAFCRLNEIMXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4S/c1-10(2)17-15(21)18-13(19)9-22-14(20)7-8-23-12-5-3-11(16)4-6-12/h3-6,10H,7-9H2,1-2H3,(H2,17,18,19,21).
What are the key properties of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate has a molecular weight of 342.39 g/mol, XLogP of 2.09, 7 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] 3-(4-fluorophenyl)sulfanylpropanoate is sourced from PubChem (CID 7650883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).