ethyl 4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate

C20H28N2O6S — CID 20927264

IUPACethyl 4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)c(C)n(C)c1C
InChIInChI=1S/C20H28N2O6S/c1-7-28-20(23)18-13(2)22(4)14(3)19(18)29(24,25)21-11-10-15-8-9-16(26-5)17(12-15)27-6/h8-9,12,21H,7,10-11H2,1-6H3
InChIKeyJXYGLPLVZPWNIH-UHFFFAOYSA-N
MW424.52 g/mol
LogP2.36
Rot. Bonds9

About ethyl 4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate

ethyl 4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate (PubChem CID 20927264) has the molecular formula C20H28N2O6S and a molecular weight of 424.52 g/mol. Its IUPAC name is ethyl 4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
PubChem CID20927264
Molecular FormulaC20H28N2O6S
Molecular Weight424.52 g/mol
Exact Mass424.17
IUPAC Nameethyl 4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)c(C)n(C)c1C
InChIInChI=1S/C20H28N2O6S/c1-7-28-20(23)18-13(2)22(4)14(3)19(18)29(24,25)21-11-10-15-8-9-16(26-5)17(12-15)27-6/h8-9,12,21H,7,10-11H2,1-6H3
InChIKeyJXYGLPLVZPWNIH-UHFFFAOYSA-N
XLogP2.36
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The IUPAC name of ethyl 4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate (CID 20927264) is ethyl 4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate is CCOC(=O)c1c(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)c(C)n(C)c1C.
What is the InChIKey of ethyl 4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The InChIKey is JXYGLPLVZPWNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O6S/c1-7-28-20(23)18-13(2)22(4)14(3)19(18)29(24,25)21-11-10-15-8-9-16(26-5)17(12-15)27-6/h8-9,12,21H,7,10-11H2,1-6H3.
What are the key properties of ethyl 4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
ethyl 4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate has a molecular weight of 424.52 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate is sourced from PubChem (CID 20927264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).