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

C25H26N2O5S — CID 2105722

IUPAC[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3,3-diphenylpropanoate
SMILESNS(=O)(=O)c1ccc(CCNC(=O)COC(=O)CC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H26N2O5S/c26-33(30,31)22-13-11-19(12-14-22)15-16-27-24(28)18-32-25(29)17-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,27,28)(H2,26,30,31)
InChIKeyBGQBLVLFVRCPBK-UHFFFAOYSA-N
MW466.56 g/mol
LogP2.76
Rot. Bonds10

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

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3,3-diphenylpropanoate (PubChem CID 2105722) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3,3-diphenylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3,3-diphenylpropanoate
PubChem CID2105722
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3,3-diphenylpropanoate
SMILESNS(=O)(=O)c1ccc(CCNC(=O)COC(=O)CC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H26N2O5S/c26-33(30,31)22-13-11-19(12-14-22)15-16-27-24(28)18-32-25(29)17-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,27,28)(H2,26,30,31)
InChIKeyBGQBLVLFVRCPBK-UHFFFAOYSA-N
XLogP2.76
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 52.76
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] 3,3-diphenylpropanoate?
The IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3,3-diphenylpropanoate (CID 2105722) is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3,3-diphenylpropanoate.
What is the SMILES notation for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3,3-diphenylpropanoate?
The canonical SMILES for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3,3-diphenylpropanoate is NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)CC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3,3-diphenylpropanoate?
The InChIKey is BGQBLVLFVRCPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5S/c26-33(30,31)22-13-11-19(12-14-22)15-16-27-24(28)18-32-25(29)17-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,27,28)(H2,26,30,31).
What are the key properties of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3,3-diphenylpropanoate?
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3,3-diphenylpropanoate has a molecular weight of 466.56 g/mol, XLogP of 2.76, 10 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] 3,3-diphenylpropanoate is sourced from PubChem (CID 2105722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).