(2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate

C11H14N2O5S — CID 7828149

IUPAC(2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1ccc(C(=O)OCC(N)=O)cc1
InChIInChI=1S/C11H14N2O5S/c1-2-13-19(16,17)9-5-3-8(4-6-9)11(15)18-7-10(12)14/h3-6,13H,2,7H2,1H3,(H2,12,14)
InChIKeyWNJFRALEDAPAID-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.37
Rot. Bonds6

About (2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate

(2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate (PubChem CID 7828149) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate
PubChem CID7828149
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name(2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1ccc(C(=O)OCC(N)=O)cc1
InChIInChI=1S/C11H14N2O5S/c1-2-13-19(16,17)9-5-3-8(4-6-9)11(15)18-7-10(12)14/h3-6,13H,2,7H2,1H3,(H2,12,14)
InChIKeyWNJFRALEDAPAID-UHFFFAOYSA-N
XLogP-0.37
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 40571054
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(ethylsulfamoyl)benzoate
CID 18085655
[2-(4-fluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7828175
[2-(2,4-dimethylphenyl)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7828114
ethyl 4-[(2-amino-2-oxoethoxy)sulfamoyl]benzoate
CID 115992104
(2-amino-2-oxoethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 2511957
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7828194
[2-oxo-2-(phenylcarbamoylamino)ethyl] 4-(ethylsulfamoyl)benzoate
CID 8954643
[2-(3,4-difluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7429496
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 29459101
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7828073
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7828167

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate?
The IUPAC name of (2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate (CID 7828149) is (2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate is CCNS(=O)(=O)c1ccc(C(=O)OCC(N)=O)cc1.
What is the InChIKey of (2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate?
The InChIKey is WNJFRALEDAPAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-2-13-19(16,17)9-5-3-8(4-6-9)11(15)18-7-10(12)14/h3-6,13H,2,7H2,1H3,(H2,12,14).
What are the key properties of (2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate?
(2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate has a molecular weight of 286.31 g/mol, XLogP of -0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate is sourced from PubChem (CID 7828149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).