[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-ethoxy-4-methoxybenzoate

C18H20N2O7S — CID 7903326

IUPAC[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-ethoxy-4-methoxybenzoate
SMILESCCOc1cc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)ccc1OC
InChIInChI=1S/C18H20N2O7S/c1-3-26-16-9-12(7-8-15(16)25-2)18(22)27-11-17(21)20-13-5-4-6-14(10-13)28(19,23)24/h4-10H,3,11H2,1-2H3,(H,20,21)(H2,19,23,24)
InChIKeyMWMDAIIJRXZPIA-UHFFFAOYSA-N
MW408.43 g/mol
LogP1.54
Rot. Bonds8

About [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-ethoxy-4-methoxybenzoate

[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-ethoxy-4-methoxybenzoate (PubChem CID 7903326) has the molecular formula C18H20N2O7S and a molecular weight of 408.43 g/mol. Its IUPAC name is [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-ethoxy-4-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-ethoxy-4-methoxybenzoate
PubChem CID7903326
Molecular FormulaC18H20N2O7S
Molecular Weight408.43 g/mol
Exact Mass408.10
IUPAC Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-ethoxy-4-methoxybenzoate
SMILESCCOc1cc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)ccc1OC
InChIInChI=1S/C18H20N2O7S/c1-3-26-16-9-12(7-8-15(16)25-2)18(22)27-11-17(21)20-13-5-4-6-14(10-13)28(19,23)24/h4-10H,3,11H2,1-2H3,(H,20,21)(H2,19,23,24)
InChIKeyMWMDAIIJRXZPIA-UHFFFAOYSA-N
XLogP1.54
TPSA134.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 3-ethoxy-4-methoxybenzoate
CID 7903710
[2-(3-acetamidoanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7416051
[2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558714
dimethyl 5-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate
CID 29458941
[2-(3-acetylanilino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561869
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 55314726
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3,4-dipropoxybenzoyl)benzoate
CID 4967147
[2-oxo-2-(3-sulfamoylanilino)ethyl] 4-propan-2-yloxybenzoate
CID 7193300
[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558698
[2-(4-nitroanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903841
[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-methyl-4-nitrobenzoate
CID 4001820
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-fluoro-4-methoxybenzoate
CID 7522974

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-ethoxy-4-methoxybenzoate?
The IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-ethoxy-4-methoxybenzoate (CID 7903326) is [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-ethoxy-4-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-ethoxy-4-methoxybenzoate?
The canonical SMILES for [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-ethoxy-4-methoxybenzoate is CCOc1cc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)ccc1OC.
What is the InChIKey of [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-ethoxy-4-methoxybenzoate?
The InChIKey is MWMDAIIJRXZPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O7S/c1-3-26-16-9-12(7-8-15(16)25-2)18(22)27-11-17(21)20-13-5-4-6-14(10-13)28(19,23)24/h4-10H,3,11H2,1-2H3,(H,20,21)(H2,19,23,24).
What are the key properties of [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-ethoxy-4-methoxybenzoate?
[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-ethoxy-4-methoxybenzoate has a molecular weight of 408.43 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-ethoxy-4-methoxybenzoate is sourced from PubChem (CID 7903326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).