[2-(4-ethoxyphenyl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate

C17H20N2O6S — CID 33322509

IUPAC[2-(4-ethoxyphenyl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate
SMILESCCOc1ccc(C(=O)COC(=O)c2cc(S(=O)(=O)NC)cn2C)cc1
InChIInChI=1S/C17H20N2O6S/c1-4-24-13-7-5-12(6-8-13)16(20)11-25-17(21)15-9-14(10-19(15)3)26(22,23)18-2/h5-10,18H,4,11H2,1-3H3
InChIKeyAKNKUOKTYYAKKX-UHFFFAOYSA-N
MW380.42 g/mol
LogP1.37
Rot. Bonds8

About [2-(4-ethoxyphenyl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate

[2-(4-ethoxyphenyl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate (PubChem CID 33322509) has the molecular formula C17H20N2O6S and a molecular weight of 380.42 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate
PubChem CID33322509
Molecular FormulaC17H20N2O6S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Name[2-(4-ethoxyphenyl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate
SMILESCCOc1ccc(C(=O)COC(=O)c2cc(S(=O)(=O)NC)cn2C)cc1
InChIInChI=1S/C17H20N2O6S/c1-4-24-13-7-5-12(6-8-13)16(20)11-25-17(21)15-9-14(10-19(15)3)26(22,23)18-2/h5-10,18H,4,11H2,1-3H3
InChIKeyAKNKUOKTYYAKKX-UHFFFAOYSA-N
XLogP1.37
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(4-ethoxyphenyl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-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 [2-(4-ethoxyphenyl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate?
The IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate (CID 33322509) is [2-(4-ethoxyphenyl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate.
What is the SMILES notation for [2-(4-ethoxyphenyl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate?
The canonical SMILES for [2-(4-ethoxyphenyl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate is CCOc1ccc(C(=O)COC(=O)c2cc(S(=O)(=O)NC)cn2C)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate?
The InChIKey is AKNKUOKTYYAKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6S/c1-4-24-13-7-5-12(6-8-13)16(20)11-25-17(21)15-9-14(10-19(15)3)26(22,23)18-2/h5-10,18H,4,11H2,1-3H3.
What are the key properties of [2-(4-ethoxyphenyl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate?
[2-(4-ethoxyphenyl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate has a molecular weight of 380.42 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate is sourced from PubChem (CID 33322509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).