[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-phenylpropanoate

C17H18N2O5S — CID 2488593

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-phenylpropanoate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C17H18N2O5S/c18-25(22,23)15-9-7-14(8-10-15)19-16(20)12-24-17(21)11-6-13-4-2-1-3-5-13/h1-5,7-10H,6,11-12H2,(H,19,20)(H2,18,22,23)
InChIKeyIMNMEQYHDWEGOV-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.45
Rot. Bonds7

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

[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-phenylpropanoate (PubChem CID 2488593) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-phenylpropanoate
PubChem CID2488593
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-phenylpropanoate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C17H18N2O5S/c18-25(22,23)15-9-7-14(8-10-15)19-16(20)12-24-17(21)11-6-13-4-2-1-3-5-13/h1-5,7-10H,6,11-12H2,(H,19,20)(H2,18,22,23)
InChIKeyIMNMEQYHDWEGOV-UHFFFAOYSA-N
XLogP1.45
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-phenylpropanoate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-phenylpropanoate (CID 2488593) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-phenylpropanoate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-phenylpropanoate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-phenylpropanoate is NS(=O)(=O)c1ccc(NC(=O)COC(=O)CCc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-phenylpropanoate?
The InChIKey is IMNMEQYHDWEGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c18-25(22,23)15-9-7-14(8-10-15)19-16(20)12-24-17(21)11-6-13-4-2-1-3-5-13/h1-5,7-10H,6,11-12H2,(H,19,20)(H2,18,22,23).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-phenylpropanoate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-phenylpropanoate has a molecular weight of 362.41 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-phenylpropanoate is sourced from PubChem (CID 2488593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).