[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-tert-butylphenoxy)acetate

C20H24N2O6S — CID 2608529

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-tert-butylphenoxy)acetate
SMILESCC(C)(C)c1ccc(OCC(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C20H24N2O6S/c1-20(2,3)14-4-8-16(9-5-14)27-13-19(24)28-12-18(23)22-15-6-10-17(11-7-15)29(21,25)26/h4-11H,12-13H2,1-3H3,(H,22,23)(H2,21,25,26)
InChIKeyXTEIWQQZRIFTEK-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.19
Rot. Bonds7

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

[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-tert-butylphenoxy)acetate (PubChem CID 2608529) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-tert-butylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-tert-butylphenoxy)acetate
PubChem CID2608529
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-tert-butylphenoxy)acetate
SMILESCC(C)(C)c1ccc(OCC(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C20H24N2O6S/c1-20(2,3)14-4-8-16(9-5-14)27-13-19(24)28-12-18(23)22-15-6-10-17(11-7-15)29(21,25)26/h4-11H,12-13H2,1-3H3,(H,22,23)(H2,21,25,26)
InChIKeyXTEIWQQZRIFTEK-UHFFFAOYSA-N
XLogP2.19
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-tert-butylphenoxy)acetate with MolForge

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Related Compounds

[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(3,4-dimethylphenoxy)acetate
CID 2595829
methyl 4-[[2-[2-(4-tert-butylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7855555
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 9328171
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 7605031
[2-(4-tert-butylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 7843324
[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-(4-tert-butylphenoxy)propanoate
CID 16534909
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 1409597
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetate
CID 25039582
2-(4-tert-butylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3278728
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2-ethylphenoxy)acetate
CID 2608393
2-[(2-methylpropan-2-yl)oxy]-N-(4-sulfamoylphenyl)acetamide
CID 112602943
[2-(4-tert-butylanilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 42964669

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-tert-butylphenoxy)acetate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-tert-butylphenoxy)acetate (CID 2608529) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-tert-butylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-tert-butylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-tert-butylphenoxy)acetate is CC(C)(C)c1ccc(OCC(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-tert-butylphenoxy)acetate?
The InChIKey is XTEIWQQZRIFTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-20(2,3)14-4-8-16(9-5-14)27-13-19(24)28-12-18(23)22-15-6-10-17(11-7-15)29(21,25)26/h4-11H,12-13H2,1-3H3,(H,22,23)(H2,21,25,26).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-tert-butylphenoxy)acetate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-tert-butylphenoxy)acetate has a molecular weight of 420.49 g/mol, XLogP of 2.19, 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-(4-tert-butylphenoxy)acetate is sourced from PubChem (CID 2608529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).