[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate

C20H24N2O5S2 — CID 4843143

IUPAC[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
SMILESCc1ccc(SCC(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C20H24N2O5S2/c1-14-3-8-18(15(2)11-14)28-13-20(24)27-12-19(23)22-10-9-16-4-6-17(7-5-16)29(21,25)26/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,23)(H2,21,25,26)
InChIKeyOZOYEFCBSIXQQB-UHFFFAOYSA-N
MW436.56 g/mol
LogP1.95
Rot. Bonds9

About [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate (PubChem CID 4843143) has the molecular formula C20H24N2O5S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
PubChem CID4843143
Molecular FormulaC20H24N2O5S2
Molecular Weight436.56 g/mol
Exact Mass436.11
IUPAC Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
SMILESCc1ccc(SCC(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C20H24N2O5S2/c1-14-3-8-18(15(2)11-14)28-13-20(24)27-12-19(23)22-10-9-16-4-6-17(7-5-16)29(21,25)26/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,23)(H2,21,25,26)
InChIKeyOZOYEFCBSIXQQB-UHFFFAOYSA-N
XLogP1.95
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 51.95
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-(2,4-dimethylphenyl)sulfanylacetate?
The IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate (CID 4843143) is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate.
What is the SMILES notation for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate?
The canonical SMILES for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate is Cc1ccc(SCC(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)c1.
What is the InChIKey of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate?
The InChIKey is OZOYEFCBSIXQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S2/c1-14-3-8-18(15(2)11-14)28-13-20(24)27-12-19(23)22-10-9-16-4-6-17(7-5-16)29(21,25)26/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,23)(H2,21,25,26).
What are the key properties of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate?
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate has a molecular weight of 436.56 g/mol, XLogP of 1.95, 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-(2,4-dimethylphenyl)sulfanylacetate is sourced from PubChem (CID 4843143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).