[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate

C17H15F3N2O6S — CID 2125931

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)COc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H15F3N2O6S/c18-17(19,20)11-2-1-3-13(8-11)27-10-16(24)28-9-15(23)22-12-4-6-14(7-5-12)29(21,25)26/h1-8H,9-10H2,(H,22,23)(H2,21,25,26)
InChIKeyFNBPUJYFNVFYRG-UHFFFAOYSA-N
MW432.38 g/mol
LogP1.91
Rot. Bonds7

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate (PubChem CID 2125931) has the molecular formula C17H15F3N2O6S and a molecular weight of 432.38 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
PubChem CID2125931
Molecular FormulaC17H15F3N2O6S
Molecular Weight432.38 g/mol
Exact Mass432.06
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)COc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H15F3N2O6S/c18-17(19,20)11-2-1-3-13(8-11)27-10-16(24)28-9-15(23)22-12-4-6-14(7-5-12)29(21,25)26/h1-8H,9-10H2,(H,22,23)(H2,21,25,26)
InChIKeyFNBPUJYFNVFYRG-UHFFFAOYSA-N
XLogP1.91
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-3-[2-(difluoromethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 25981084
N-[4-(aminosulfonyl)phenyl]-2-(4-ethoxyphenoxy)acetamide
CID 1193007
N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide
CID 2535092
[2-Oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-(2-fluorophenoxy)acetate
CID 3875813
2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4668478
2-(3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1144627
N-(4-(Aminosulfonyl)phenyl)-2-(4-fluorophenoxy)acetamide
CID 716578
2-(4-ethylphenoxy)-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide
CID 1014119
N-[4-(dipropylsulfamoyl)phenyl]-2-phenoxyacetamide
CID 1213802
N-[4-({2-[2-(3-methylphenoxy)acetyl]hydrazino}sulfonyl)phenyl]acetamide
CID 1225174
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 1245459
2-[4-(4-morpholinylsulfonyl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1253234

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate (CID 2125931) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate is NS(=O)(=O)c1ccc(NC(=O)COC(=O)COc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate?
The InChIKey is FNBPUJYFNVFYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O6S/c18-17(19,20)11-2-1-3-13(8-11)27-10-16(24)28-9-15(23)22-12-4-6-14(7-5-12)29(21,25)26/h1-8H,9-10H2,(H,22,23)(H2,21,25,26).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate has a molecular weight of 432.38 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate is sourced from PubChem (CID 2125931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).