[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2-ethylphenoxy)acetate

C18H20N2O6S — CID 2608393

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2-ethylphenoxy)acetate
SMILESCCc1ccccc1OCC(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H20N2O6S/c1-2-13-5-3-4-6-16(13)25-12-18(22)26-11-17(21)20-14-7-9-15(10-8-14)27(19,23)24/h3-10H,2,11-12H2,1H3,(H,20,21)(H2,19,23,24)
InChIKeyXYILINOYHDRMGB-UHFFFAOYSA-N
MW392.43 g/mol
LogP1.46
Rot. Bonds8

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2-ethylphenoxy)acetate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2-ethylphenoxy)acetate (PubChem CID 2608393) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2-ethylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2-ethylphenoxy)acetate
PubChem CID2608393
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2-ethylphenoxy)acetate
SMILESCCc1ccccc1OCC(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H20N2O6S/c1-2-13-5-3-4-6-16(13)25-12-18(22)26-11-17(21)20-14-7-9-15(10-8-14)27(19,23)24/h3-10H,2,11-12H2,1H3,(H,20,21)(H2,19,23,24)
InChIKeyXYILINOYHDRMGB-UHFFFAOYSA-N
XLogP1.46
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-tert-butylphenoxy)acetate
CID 2608529
4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide
CID 724713
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(3,4-dimethylphenoxy)acetate
CID 2595829
1-[2-(2-ethylphenoxy)acetyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 55395932
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-phenylphenyl)acetate
CID 2119188
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
CID 46789518
2-(2-ethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 46669396
methyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 19175752
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
CID 2479657
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(2-chlorophenyl)methoxy]benzoate
CID 2594292
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-thiophen-2-ylacetate
CID 7798869
2-(2-hydroxyphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 80723230

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2-ethylphenoxy)acetate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2-ethylphenoxy)acetate (CID 2608393) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2-ethylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2-ethylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2-ethylphenoxy)acetate is CCc1ccccc1OCC(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2-ethylphenoxy)acetate?
The InChIKey is XYILINOYHDRMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-2-13-5-3-4-6-16(13)25-12-18(22)26-11-17(21)20-14-7-9-15(10-8-14)27(19,23)24/h3-10H,2,11-12H2,1H3,(H,20,21)(H2,19,23,24).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2-ethylphenoxy)acetate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2-ethylphenoxy)acetate has a molecular weight of 392.43 g/mol, XLogP of 1.46, 8 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-(2-ethylphenoxy)acetate is sourced from PubChem (CID 2608393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).