2-(4-sulfamoylphenoxy)ethyl 4-acetamidobenzoate

C17H18N2O6S — CID 34129136

IUPAC2-(4-sulfamoylphenoxy)ethyl 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H18N2O6S/c1-12(20)19-14-4-2-13(3-5-14)17(21)25-11-10-24-15-6-8-16(9-7-15)26(18,22)23/h2-9H,10-11H2,1H3,(H,19,20)(H2,18,22,23)
InChIKeyYYGKPSHYFYEBFK-UHFFFAOYSA-N
MW378.41 g/mol
LogP1.53
Rot. Bonds7

About 2-(4-sulfamoylphenoxy)ethyl 4-acetamidobenzoate

2-(4-sulfamoylphenoxy)ethyl 4-acetamidobenzoate (PubChem CID 34129136) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is 2-(4-sulfamoylphenoxy)ethyl 4-acetamidobenzoate.

Molecular Properties

Compound Name2-(4-sulfamoylphenoxy)ethyl 4-acetamidobenzoate
PubChem CID34129136
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC Name2-(4-sulfamoylphenoxy)ethyl 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H18N2O6S/c1-12(20)19-14-4-2-13(3-5-14)17(21)25-11-10-24-15-6-8-16(9-7-15)26(18,22)23/h2-9H,10-11H2,1H3,(H,19,20)(H2,18,22,23)
InChIKeyYYGKPSHYFYEBFK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate
CID 7654087
2-(4-sulfamoylphenoxy)ethyl 4-iodobenzoate
CID 34125400
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-propoxybenzoate
CID 7211739
ethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate
CID 38924617
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate
CID 2563718
4-heptoxy-N-(4-sulfamoylphenyl)benzamide
CID 4950602
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate
CID 2510265
butyl 4-sulfamoylbenzoate
CID 23274639
[2-(4-acetamidophenyl)-2-oxoethyl] 4-butoxybenzoate
CID 8863260
[2-(4-acetamidophenyl)-2-oxoethyl] 4-propoxybenzoate
CID 7211682
1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 27870041

Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfamoylphenoxy)ethyl 4-acetamidobenzoate?
The IUPAC name of 2-(4-sulfamoylphenoxy)ethyl 4-acetamidobenzoate (CID 34129136) is 2-(4-sulfamoylphenoxy)ethyl 4-acetamidobenzoate.
What is the SMILES notation for 2-(4-sulfamoylphenoxy)ethyl 4-acetamidobenzoate?
The canonical SMILES for 2-(4-sulfamoylphenoxy)ethyl 4-acetamidobenzoate is CC(=O)Nc1ccc(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-(4-sulfamoylphenoxy)ethyl 4-acetamidobenzoate?
The InChIKey is YYGKPSHYFYEBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S/c1-12(20)19-14-4-2-13(3-5-14)17(21)25-11-10-24-15-6-8-16(9-7-15)26(18,22)23/h2-9H,10-11H2,1H3,(H,19,20)(H2,18,22,23).
What are the key properties of 2-(4-sulfamoylphenoxy)ethyl 4-acetamidobenzoate?
2-(4-sulfamoylphenoxy)ethyl 4-acetamidobenzoate 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-(4-sulfamoylphenoxy)ethyl 4-acetamidobenzoate is sourced from PubChem (CID 34129136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).