dimethyl 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzene-1,4-dicarboxylate

C19H21NO8S — CID 90518370

IUPACdimethyl 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)CCOc2ccc(OC)cc2)c1
InChIInChI=1S/C19H21NO8S/c1-25-14-5-7-15(8-6-14)28-10-11-29(23,24)20-17-12-13(18(21)26-2)4-9-16(17)19(22)27-3/h4-9,12,20H,10-11H2,1-3H3
InChIKeyKWRSDSBEQXKRIC-UHFFFAOYSA-N
MW423.44 g/mol
LogP2.09
Rot. Bonds9

About dimethyl 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzene-1,4-dicarboxylate

dimethyl 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzene-1,4-dicarboxylate (PubChem CID 90518370) has the molecular formula C19H21NO8S and a molecular weight of 423.44 g/mol. Its IUPAC name is dimethyl 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzene-1,4-dicarboxylate
PubChem CID90518370
Molecular FormulaC19H21NO8S
Molecular Weight423.44 g/mol
Exact Mass423.10
IUPAC Namedimethyl 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)CCOc2ccc(OC)cc2)c1
InChIInChI=1S/C19H21NO8S/c1-25-14-5-7-15(8-6-14)28-10-11-29(23,24)20-17-12-13(18(21)26-2)4-9-16(17)19(22)27-3/h4-9,12,20H,10-11H2,1-3H3
InChIKeyKWRSDSBEQXKRIC-UHFFFAOYSA-N
XLogP2.09
TPSA117.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze dimethyl 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzene-1,4-dicarboxylate 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

dimethyl 2-[2-(4-fluorophenoxy)ethylsulfonylamino]benzene-1,4-dicarboxylate
CID 90518567
dimethyl 2-[(4-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate
CID 108866342
2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)ethanesulfonamide
CID 90518426
methyl 4-(hydroxymethyl)-2-(propylsulfonylamino)benzoate
CID 67529286
methyl 3-(3-chloropropylsulfonylamino)-4-methylbenzoate
CID 43654298
dimethyl 2-(4-phenoxybutanoylamino)benzene-1,4-dicarboxylate
CID 2287584
methyl 3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]benzoate
CID 112772161
methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 3707700
2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide
CID 90518388
methyl 4-[(2,5-dimethoxyphenyl)sulfamoylmethyl]benzoate
CID 28632724
methyl 3-(ethylsulfonylamino)-4-methylbenzoate
CID 6466185
3-[(5-fluoro-2-methoxycarbonylphenyl)sulfamoyl]propanoic acid
CID 43716819

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzene-1,4-dicarboxylate (CID 90518370) is dimethyl 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)CCOc2ccc(OC)cc2)c1.
What is the InChIKey of dimethyl 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzene-1,4-dicarboxylate?
The InChIKey is KWRSDSBEQXKRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO8S/c1-25-14-5-7-15(8-6-14)28-10-11-29(23,24)20-17-12-13(18(21)26-2)4-9-16(17)19(22)27-3/h4-9,12,20H,10-11H2,1-3H3.
What are the key properties of dimethyl 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzene-1,4-dicarboxylate?
dimethyl 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzene-1,4-dicarboxylate has a molecular weight of 423.44 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 90518370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).