ethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate

C17H18N2O6S — CID 38924617

IUPACethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H18N2O6S/c1-2-24-17(21)12-3-7-14(8-4-12)25-11-16(20)19-13-5-9-15(10-6-13)26(18,22)23/h3-10H,2,11H2,1H3,(H,19,20)(H2,18,22,23)
InChIKeyKGBOFTGLXAFZRR-UHFFFAOYSA-N
MW378.41 g/mol
LogP1.53
Rot. Bonds7

About ethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate

ethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate (PubChem CID 38924617) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is ethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate
PubChem CID38924617
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC Nameethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H18N2O6S/c1-2-24-17(21)12-3-7-14(8-4-12)25-11-16(20)19-13-5-9-15(10-6-13)26(18,22)23/h3-10H,2,11H2,1H3,(H,19,20)(H2,18,22,23)
InChIKeyKGBOFTGLXAFZRR-UHFFFAOYSA-N
XLogP1.53
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate
CID 2563718
ethyl 4-[[2-[4-(propylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 45375322
4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid
CID 99989606
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate
CID 2510265
ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3274519
ethyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 2943450
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682450
ethyl 4-[2-(4-cyanoanilino)-2-oxoethoxy]benzoate
CID 34569577
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 18870470
2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 3887090
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 126212081
2-(4-sulfamoylphenoxy)ethyl 4-acetamidobenzoate
CID 34129136

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate?
The IUPAC name of ethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate (CID 38924617) is ethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate.
What is the SMILES notation for ethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate?
The canonical SMILES for ethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate is CCOC(=O)c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of ethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate?
The InChIKey is KGBOFTGLXAFZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S/c1-2-24-17(21)12-3-7-14(8-4-12)25-11-16(20)19-13-5-9-15(10-6-13)26(18,22)23/h3-10H,2,11H2,1H3,(H,19,20)(H2,18,22,23).
What are the key properties of ethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate?
ethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate has a molecular weight of 378.41 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate is sourced from PubChem (CID 38924617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).