[2-(2-methoxyanilino)-2-oxoethyl] 4-[methoxy(methyl)sulfamoyl]benzoate

C18H20N2O7S — CID 8943438

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] 4-[methoxy(methyl)sulfamoyl]benzoate
SMILESCOc1ccccc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1
InChIInChI=1S/C18H20N2O7S/c1-20(26-3)28(23,24)14-10-8-13(9-11-14)18(22)27-12-17(21)19-15-6-4-5-7-16(15)25-2/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeyYLNASFTWEOFDOU-UHFFFAOYSA-N
MW408.43 g/mol
LogP1.67
Rot. Bonds8

About [2-(2-methoxyanilino)-2-oxoethyl] 4-[methoxy(methyl)sulfamoyl]benzoate

[2-(2-methoxyanilino)-2-oxoethyl] 4-[methoxy(methyl)sulfamoyl]benzoate (PubChem CID 8943438) has the molecular formula C18H20N2O7S and a molecular weight of 408.43 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] 4-[methoxy(methyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] 4-[methoxy(methyl)sulfamoyl]benzoate
PubChem CID8943438
Molecular FormulaC18H20N2O7S
Molecular Weight408.43 g/mol
Exact Mass408.10
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] 4-[methoxy(methyl)sulfamoyl]benzoate
SMILESCOc1ccccc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1
InChIInChI=1S/C18H20N2O7S/c1-20(26-3)28(23,24)14-10-8-13(9-11-14)18(22)27-12-17(21)19-15-6-4-5-7-16(15)25-2/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeyYLNASFTWEOFDOU-UHFFFAOYSA-N
XLogP1.67
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 55317217
methyl 2-[[2-[4-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate
CID 2603679
[2-(2-nitroanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 29143572
[2-(3-methylanilino)-2-oxoethyl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8943342
[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 3-[methoxy(methyl)sulfamoyl]benzoate
CID 36698413
[2-(2-ethylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 7448392
[2-(2-methoxyanilino)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2348338
[2-(2-tert-butylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2602460
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-ethylbenzoate
CID 7364669
[2-(4-methoxyanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 4854134
[2-(N-methylanilino)-2-oxoethyl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8943232
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-cyanobenzoate
CID 7716966

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 4-[methoxy(methyl)sulfamoyl]benzoate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 4-[methoxy(methyl)sulfamoyl]benzoate (CID 8943438) is [2-(2-methoxyanilino)-2-oxoethyl] 4-[methoxy(methyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] 4-[methoxy(methyl)sulfamoyl]benzoate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] 4-[methoxy(methyl)sulfamoyl]benzoate is COc1ccccc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] 4-[methoxy(methyl)sulfamoyl]benzoate?
The InChIKey is YLNASFTWEOFDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O7S/c1-20(26-3)28(23,24)14-10-8-13(9-11-14)18(22)27-12-17(21)19-15-6-4-5-7-16(15)25-2/h4-11H,12H2,1-3H3,(H,19,21).
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] 4-[methoxy(methyl)sulfamoyl]benzoate?
[2-(2-methoxyanilino)-2-oxoethyl] 4-[methoxy(methyl)sulfamoyl]benzoate has a molecular weight of 408.43 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl] 4-[methoxy(methyl)sulfamoyl]benzoate is sourced from PubChem (CID 8943438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).