[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,5-dimethoxybenzoate

C19H22N2O7S — CID 16556676

IUPAC[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C19H22N2O7S/c1-26-14-5-8-17(27-2)16(11-14)19(23)28-12-18(22)21-10-9-13-3-6-15(7-4-13)29(20,24)25/h3-8,11H,9-10,12H2,1-2H3,(H,21,22)(H2,20,24,25)
InChIKeyYWOSMUBVRABQTB-UHFFFAOYSA-N
MW422.46 g/mol
LogP0.87
Rot. Bonds9

About [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,5-dimethoxybenzoate

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,5-dimethoxybenzoate (PubChem CID 16556676) has the molecular formula C19H22N2O7S and a molecular weight of 422.46 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,5-dimethoxybenzoate
PubChem CID16556676
Molecular FormulaC19H22N2O7S
Molecular Weight422.46 g/mol
Exact Mass422.11
IUPAC Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C19H22N2O7S/c1-26-14-5-8-17(27-2)16(11-14)19(23)28-12-18(22)21-10-9-13-3-6-15(7-4-13)29(20,24)25/h3-8,11H,9-10,12H2,1-2H3,(H,21,22)(H2,20,24,25)
InChIKeyYWOSMUBVRABQTB-UHFFFAOYSA-N
XLogP0.87
TPSA134.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methoxynaphthalene-2-carboxylate
CID 2689452
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614932
[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-methoxy-5-sulfamoylbenzoate
CID 8569114
1-(2,4-dimethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989677
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 7500277
5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 110297842
[2-(benzylamino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586819
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,4-difluorobenzoate
CID 2103334
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518490
2-(3-methoxyphenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 35040882
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-hydroxy-3-methylbenzoate
CID 24671488

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,5-dimethoxybenzoate?
The IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,5-dimethoxybenzoate (CID 16556676) is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,5-dimethoxybenzoate.
What is the SMILES notation for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,5-dimethoxybenzoate?
The canonical SMILES for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,5-dimethoxybenzoate is COc1ccc(OC)c(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,5-dimethoxybenzoate?
The InChIKey is YWOSMUBVRABQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O7S/c1-26-14-5-8-17(27-2)16(11-14)19(23)28-12-18(22)21-10-9-13-3-6-15(7-4-13)29(20,24)25/h3-8,11H,9-10,12H2,1-2H3,(H,21,22)(H2,20,24,25).
What are the key properties of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,5-dimethoxybenzoate?
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,5-dimethoxybenzoate has a molecular weight of 422.46 g/mol, XLogP of 0.87, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,5-dimethoxybenzoate is sourced from PubChem (CID 16556676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).