[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate

C17H18N2O6S — CID 2563718

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H18N2O6S/c1-2-24-14-7-3-12(4-8-14)17(21)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)
InChIKeyGFLZKPYWWUDTAF-UHFFFAOYSA-N
MW378.41 g/mol
LogP1.53
Rot. Bonds7

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate (PubChem CID 2563718) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate
PubChem CID2563718
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H18N2O6S/c1-2-24-14-7-3-12(4-8-14)17(21)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)
InChIKeyGFLZKPYWWUDTAF-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

ethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate
CID 38924617
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate
CID 2510265
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate
CID 7680166
[2-(4-acetylanilino)-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 2118244
[2-(4-methoxyanilino)-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 2369538
[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211928
[2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 7574746
[2-(4-ethoxyanilino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7994120
1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 27870041
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133676
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580671
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate
CID 55318570

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate (CID 2563718) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate is CCOc1ccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate?
The InChIKey is GFLZKPYWWUDTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S/c1-2-24-14-7-3-12(4-8-14)17(21)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 [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate 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 [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate is sourced from PubChem (CID 2563718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).