[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate

C18H19FN2O5S — CID 25163544

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1cccc(F)c1)NCCc1ccccc1
InChIInChI=1S/C18H19FN2O5S/c19-15-7-4-8-16(11-15)27(24,25)21-12-18(23)26-13-17(22)20-10-9-14-5-2-1-3-6-14/h1-8,11,21H,9-10,12-13H2,(H,20,22)
InChIKeyOLOQVLQYIGFQGZ-UHFFFAOYSA-N
MW394.42 g/mol
LogP1.01
Rot. Bonds9

About [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate

[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate (PubChem CID 25163544) has the molecular formula C18H19FN2O5S and a molecular weight of 394.42 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
PubChem CID25163544
Molecular FormulaC18H19FN2O5S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1cccc(F)c1)NCCc1ccccc1
InChIInChI=1S/C18H19FN2O5S/c19-15-7-4-8-16(11-15)27(24,25)21-12-18(23)26-13-17(22)20-10-9-14-5-2-1-3-6-14/h1-8,11,21H,9-10,12-13H2,(H,20,22)
InChIKeyOLOQVLQYIGFQGZ-UHFFFAOYSA-N
XLogP1.01
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate (CID 25163544) is [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate is O=C(COC(=O)CNS(=O)(=O)c1cccc(F)c1)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate?
The InChIKey is OLOQVLQYIGFQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5S/c19-15-7-4-8-16(11-15)27(24,25)21-12-18(23)26-13-17(22)20-10-9-14-5-2-1-3-6-14/h1-8,11,21H,9-10,12-13H2,(H,20,22).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate has a molecular weight of 394.42 g/mol, XLogP of 1.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 25163544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).