[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-phenylpropanoate

C19H22N2O5S — CID 3676655

IUPAC[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-phenylpropanoate
SMILESNS(=O)(=O)c1ccc(CCNC(=O)COC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O5S/c20-27(24,25)17-9-6-16(7-10-17)12-13-21-18(22)14-26-19(23)11-8-15-4-2-1-3-5-15/h1-7,9-10H,8,11-14H2,(H,21,22)(H2,20,24,25)
InChIKeyIIEAIARSULWBRP-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.17
Rot. Bonds9

About [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-phenylpropanoate

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-phenylpropanoate (PubChem CID 3676655) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-phenylpropanoate
PubChem CID3676655
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-phenylpropanoate
SMILESNS(=O)(=O)c1ccc(CCNC(=O)COC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O5S/c20-27(24,25)17-9-6-16(7-10-17)12-13-21-18(22)14-26-19(23)11-8-15-4-2-1-3-5-15/h1-7,9-10H,8,11-14H2,(H,21,22)(H2,20,24,25)
InChIKeyIIEAIARSULWBRP-UHFFFAOYSA-N
XLogP1.17
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.17
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-(4-sulfamoylphenyl)ethylamino]ethyl] 3-phenylpropanoate?
The IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-phenylpropanoate (CID 3676655) is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-phenylpropanoate.
What is the SMILES notation for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-phenylpropanoate?
The canonical SMILES for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-phenylpropanoate is NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)CCc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-phenylpropanoate?
The InChIKey is IIEAIARSULWBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c20-27(24,25)17-9-6-16(7-10-17)12-13-21-18(22)14-26-19(23)11-8-15-4-2-1-3-5-15/h1-7,9-10H,8,11-14H2,(H,21,22)(H2,20,24,25).
What are the key properties of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-phenylpropanoate?
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-phenylpropanoate has a molecular weight of 390.46 g/mol, XLogP of 1.17, 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-(4-sulfamoylphenyl)ethylamino]ethyl] 3-phenylpropanoate is sourced from PubChem (CID 3676655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).