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

C13H14FNO5S — CID 7355160

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESCCOC(=O)NC(=O)COC(=O)CSc1ccccc1F
InChIInChI=1S/C13H14FNO5S/c1-2-19-13(18)15-11(16)7-20-12(17)8-21-10-6-4-3-5-9(10)14/h3-6H,2,7-8H2,1H3,(H,15,16,18)
InChIKeyPAADDQFMKIEDLN-UHFFFAOYSA-N
MW315.32 g/mol
LogP1.73
Rot. Bonds6

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

[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate (PubChem CID 7355160) has the molecular formula C13H14FNO5S and a molecular weight of 315.32 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
PubChem CID7355160
Molecular FormulaC13H14FNO5S
Molecular Weight315.32 g/mol
Exact Mass315.06
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESCCOC(=O)NC(=O)COC(=O)CSc1ccccc1F
InChIInChI=1S/C13H14FNO5S/c1-2-19-13(18)15-11(16)7-20-12(17)8-21-10-6-4-3-5-9(10)14/h3-6H,2,7-8H2,1H3,(H,15,16,18)
InChIKeyPAADDQFMKIEDLN-UHFFFAOYSA-N
XLogP1.73
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate 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-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate (CID 7355160) is [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate is CCOC(=O)NC(=O)COC(=O)CSc1ccccc1F.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The InChIKey is PAADDQFMKIEDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO5S/c1-2-19-13(18)15-11(16)7-20-12(17)8-21-10-6-4-3-5-9(10)14/h3-6H,2,7-8H2,1H3,(H,15,16,18).
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate has a molecular weight of 315.32 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 7355160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).