[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate

C18H20N2O8S — CID 16518490

IUPAC[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
SMILESCOc1cc(NC(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc(OC)c1
InChIInChI=1S/C18H20N2O8S/c1-25-12-6-11(7-13(8-12)26-2)20-17(21)10-28-18(22)15-9-14(29(19,23)24)4-5-16(15)27-3/h4-9H,10H2,1-3H3,(H,20,21)(H2,19,23,24)
InChIKeyIKUZUXDRNZCRCQ-UHFFFAOYSA-N
MW424.43 g/mol
LogP1.16
Rot. Bonds8

About [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate

[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate (PubChem CID 16518490) has the molecular formula C18H20N2O8S and a molecular weight of 424.43 g/mol. Its IUPAC name is [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate.

Molecular Properties

Compound Name[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
PubChem CID16518490
Molecular FormulaC18H20N2O8S
Molecular Weight424.43 g/mol
Exact Mass424.09
IUPAC Name[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
SMILESCOc1cc(NC(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc(OC)c1
InChIInChI=1S/C18H20N2O8S/c1-25-12-6-11(7-13(8-12)26-2)20-17(21)10-28-18(22)15-9-14(29(19,23)24)4-5-16(15)27-3/h4-9H,10H2,1-3H3,(H,20,21)(H2,19,23,24)
InChIKeyIKUZUXDRNZCRCQ-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

Analyze [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7890743
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518454
[2-oxo-2-(propan-2-ylamino)ethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7467931
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4,5-trimethoxybenzoate
CID 55316135
[2-(4-methoxyanilino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7994064
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 4848044
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518351
[2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586721
[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-methoxy-5-sulfamoylbenzoate
CID 8569114
2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate
CID 27910852
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2520086
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,5-dimethoxybenzoate
CID 16556676

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate?
The IUPAC name of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate (CID 16518490) is [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate.
What is the SMILES notation for [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate?
The canonical SMILES for [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate is COc1cc(NC(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc(OC)c1.
What is the InChIKey of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate?
The InChIKey is IKUZUXDRNZCRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O8S/c1-25-12-6-11(7-13(8-12)26-2)20-17(21)10-28-18(22)15-9-14(29(19,23)24)4-5-16(15)27-3/h4-9H,10H2,1-3H3,(H,20,21)(H2,19,23,24).
What are the key properties of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate?
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate 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-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate is sourced from PubChem (CID 16518490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).