[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4,5-trimethoxybenzoate

C18H20N2O8S — CID 55316135

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4,5-trimethoxybenzoate
SMILESCOc1cc(OC)c(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC
InChIInChI=1S/C18H20N2O8S/c1-25-14-9-16(27-3)15(26-2)8-13(14)18(22)28-10-17(21)20-11-4-6-12(7-5-11)29(19,23)24/h4-9H,10H2,1-3H3,(H,20,21)(H2,19,23,24)
InChIKeyCZBCCCWOJCRTTI-UHFFFAOYSA-N
MW424.43 g/mol
LogP1.16
Rot. Bonds8

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4,5-trimethoxybenzoate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4,5-trimethoxybenzoate (PubChem CID 55316135) has the molecular formula C18H20N2O8S and a molecular weight of 424.43 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4,5-trimethoxybenzoate
PubChem CID55316135
Molecular FormulaC18H20N2O8S
Molecular Weight424.43 g/mol
Exact Mass424.09
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4,5-trimethoxybenzoate
SMILESCOc1cc(OC)c(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC
InChIInChI=1S/C18H20N2O8S/c1-25-14-9-16(27-3)15(26-2)8-13(14)18(22)28-10-17(21)20-11-4-6-12(7-5-11)29(19,23)24/h4-9H,10H2,1-3H3,(H,20,21)(H2,19,23,24)
InChIKeyCZBCCCWOJCRTTI-UHFFFAOYSA-N
XLogP1.16
TPSA143.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566522
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2,4,5-trimethoxybenzoate
CID 16528404
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518490
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
CID 25037754
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-fluoro-4-methoxybenzoate
CID 7522974
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518454
[2-(3,5-dimethylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566389
[2-(4-methoxyanilino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7994064
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate
CID 2510265
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2,4,5-trimethoxybenzoate
CID 7394924
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 9314320
[2-oxo-2-(4-sulfamoylanilino)ethyl] 1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 2387786

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4,5-trimethoxybenzoate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4,5-trimethoxybenzoate (CID 55316135) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4,5-trimethoxybenzoate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4,5-trimethoxybenzoate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4,5-trimethoxybenzoate is COc1cc(OC)c(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4,5-trimethoxybenzoate?
The InChIKey is CZBCCCWOJCRTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O8S/c1-25-14-9-16(27-3)15(26-2)8-13(14)18(22)28-10-17(21)20-11-4-6-12(7-5-11)29(19,23)24/h4-9H,10H2,1-3H3,(H,20,21)(H2,19,23,24).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4,5-trimethoxybenzoate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4,5-trimethoxybenzoate has a molecular weight of 424.43 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4,5-trimethoxybenzoate is sourced from PubChem (CID 55316135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).