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

C20H24N2O6S — CID 7841727

IUPAC[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(2-methylphenoxy)propanoate
SMILESCc1ccccc1OCCC(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H24N2O6S/c1-15-4-2-3-5-18(15)27-13-11-20(24)28-14-19(23)22-12-10-16-6-8-17(9-7-16)29(21,25)26/h2-9H,10-14H2,1H3,(H,22,23)(H2,21,25,26)
InChIKeyVIDBKDNGKRGPRG-UHFFFAOYSA-N
MW420.49 g/mol
LogP1.31
Rot. Bonds10

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

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(2-methylphenoxy)propanoate (PubChem CID 7841727) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(2-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(2-methylphenoxy)propanoate
PubChem CID7841727
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(2-methylphenoxy)propanoate
SMILESCc1ccccc1OCCC(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H24N2O6S/c1-15-4-2-3-5-18(15)27-13-11-20(24)28-14-19(23)22-12-10-16-6-8-17(9-7-16)29(21,25)26/h2-9H,10-14H2,1H3,(H,22,23)(H2,21,25,26)
InChIKeyVIDBKDNGKRGPRG-UHFFFAOYSA-N
XLogP1.31
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(2-methylphenoxy)propanoate?
The IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(2-methylphenoxy)propanoate (CID 7841727) is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(2-methylphenoxy)propanoate.
What is the SMILES notation for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(2-methylphenoxy)propanoate?
The canonical SMILES for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(2-methylphenoxy)propanoate is Cc1ccccc1OCCC(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(2-methylphenoxy)propanoate?
The InChIKey is VIDBKDNGKRGPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-15-4-2-3-5-18(15)27-13-11-20(24)28-14-19(23)22-12-10-16-6-8-17(9-7-16)29(21,25)26/h2-9H,10-14H2,1H3,(H,22,23)(H2,21,25,26).
What are the key properties of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(2-methylphenoxy)propanoate?
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(2-methylphenoxy)propanoate has a molecular weight of 420.49 g/mol, XLogP of 1.31, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(2-methylphenoxy)propanoate is sourced from PubChem (CID 7841727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).