[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenoxy)-2-methylpropanoate

C20H23ClN2O6S — CID 2510437

IUPAC[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H23ClN2O6S/c1-20(2,29-16-7-5-15(21)6-8-16)19(25)28-13-18(24)23-12-11-14-3-9-17(10-4-14)30(22,26)27/h3-10H,11-13H2,1-2H3,(H,23,24)(H2,22,26,27)
InChIKeyGRIYQZBELDVTQO-UHFFFAOYSA-N
MW454.93 g/mol
LogP2.05
Rot. Bonds9

About [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenoxy)-2-methylpropanoate

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenoxy)-2-methylpropanoate (PubChem CID 2510437) has the molecular formula C20H23ClN2O6S and a molecular weight of 454.93 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenoxy)-2-methylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
PubChem CID2510437
Molecular FormulaC20H23ClN2O6S
Molecular Weight454.93 g/mol
Exact Mass454.10
IUPAC Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H23ClN2O6S/c1-20(2,29-16-7-5-15(21)6-8-16)19(25)28-13-18(24)23-12-11-14-3-9-17(10-4-14)30(22,26)27/h3-10H,11-13H2,1-2H3,(H,23,24)(H2,22,26,27)
InChIKeyGRIYQZBELDVTQO-UHFFFAOYSA-N
XLogP2.05
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.93
LogP ≤ 52.05
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] 2-(4-chlorophenoxy)-2-methylpropanoate?
The IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenoxy)-2-methylpropanoate (CID 2510437) is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenoxy)-2-methylpropanoate.
What is the SMILES notation for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenoxy)-2-methylpropanoate?
The canonical SMILES for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenoxy)-2-methylpropanoate is CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenoxy)-2-methylpropanoate?
The InChIKey is GRIYQZBELDVTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O6S/c1-20(2,29-16-7-5-15(21)6-8-16)19(25)28-13-18(24)23-12-11-14-3-9-17(10-4-14)30(22,26)27/h3-10H,11-13H2,1-2H3,(H,23,24)(H2,22,26,27).
What are the key properties of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenoxy)-2-methylpropanoate?
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenoxy)-2-methylpropanoate has a molecular weight of 454.93 g/mol, XLogP of 2.05, 9 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] 2-(4-chlorophenoxy)-2-methylpropanoate is sourced from PubChem (CID 2510437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).