[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate

C25H26N2O7S — CID 55317217

IUPAC[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1
InChIInChI=1S/C25H26N2O7S/c1-17-9-14-22(32-3)20(15-17)26-24(28)16-34-25(29)18-10-12-19(13-11-18)35(30,31)27(2)21-7-5-6-8-23(21)33-4/h5-15H,16H2,1-4H3,(H,26,28)
InChIKeyIEZZCMVNPXCERT-UHFFFAOYSA-N
MW498.56 g/mol
LogP3.63
Rot. Bonds9

About [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate (PubChem CID 55317217) has the molecular formula C25H26N2O7S and a molecular weight of 498.56 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
PubChem CID55317217
Molecular FormulaC25H26N2O7S
Molecular Weight498.56 g/mol
Exact Mass498.15
IUPAC Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1
InChIInChI=1S/C25H26N2O7S/c1-17-9-14-22(32-3)20(15-17)26-24(28)16-34-25(29)18-10-12-19(13-11-18)35(30,31)27(2)21-7-5-6-8-23(21)33-4/h5-15H,16H2,1-4H3,(H,26,28)
InChIKeyIEZZCMVNPXCERT-UHFFFAOYSA-N
XLogP3.63
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.56
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate with MolForge

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Related Compounds

[2-(2-nitroanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 29143572
[2-(3-acetylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 55317196
[2-(4-methoxyanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 4854134
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 3328537
(3-methylphenyl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 18205883
[2-(2-methoxyanilino)-2-oxoethyl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8943438
N-(2-methoxy-5-methylphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1333379
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 3254854
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate
CID 2715006
(2-butoxy-2-oxoethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 16569078
[2-(N-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2434865
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 5218406

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
The IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate (CID 55317217) is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate is COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
The InChIKey is IEZZCMVNPXCERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O7S/c1-17-9-14-22(32-3)20(15-17)26-24(28)16-34-25(29)18-10-12-19(13-11-18)35(30,31)27(2)21-7-5-6-8-23(21)33-4/h5-15H,16H2,1-4H3,(H,26,28).
What are the key properties of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate has a molecular weight of 498.56 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate is sourced from PubChem (CID 55317217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).