ethyl 2-(3-chlorophenyl)-5-hydroxy-4-methylthieno[3,2-b]pyrrole-6-carboxylate

C16H14ClNO3S — CID 135481181

IUPACethyl 2-(3-chlorophenyl)-5-hydroxy-4-methylthieno[3,2-b]pyrrole-6-carboxylate
SMILESCCOC(=O)c1c(O)n(C)c2cc(-c3cccc(Cl)c3)sc12
InChIInChI=1S/C16H14ClNO3S/c1-3-21-16(20)13-14-11(18(2)15(13)19)8-12(22-14)9-5-4-6-10(17)7-9/h4-8,19H,3H2,1-2H3
InChIKeyGAOHORSPHGDZJS-UHFFFAOYSA-N
MW335.81 g/mol
LogP4.44
Rot. Bonds3

About ethyl 2-(3-chlorophenyl)-5-hydroxy-4-methylthieno[3,2-b]pyrrole-6-carboxylate

ethyl 2-(3-chlorophenyl)-5-hydroxy-4-methylthieno[3,2-b]pyrrole-6-carboxylate (PubChem CID 135481181) has the molecular formula C16H14ClNO3S and a molecular weight of 335.81 g/mol. Its IUPAC name is ethyl 2-(3-chlorophenyl)-5-hydroxy-4-methylthieno[3,2-b]pyrrole-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-chlorophenyl)-5-hydroxy-4-methylthieno[3,2-b]pyrrole-6-carboxylate
PubChem CID135481181
Molecular FormulaC16H14ClNO3S
Molecular Weight335.81 g/mol
Exact Mass335.04
IUPAC Nameethyl 2-(3-chlorophenyl)-5-hydroxy-4-methylthieno[3,2-b]pyrrole-6-carboxylate
SMILESCCOC(=O)c1c(O)n(C)c2cc(-c3cccc(Cl)c3)sc12
InChIInChI=1S/C16H14ClNO3S/c1-3-21-16(20)13-14-11(18(2)15(13)19)8-12(22-14)9-5-4-6-10(17)7-9/h4-8,19H,3H2,1-2H3
InChIKeyGAOHORSPHGDZJS-UHFFFAOYSA-N
XLogP4.44
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(3-chlorophenyl)-5-hydroxy-4-methylthieno[3,2-b]pyrrole-6-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 2-(3-chlorophenyl)-5-hydroxy-4-methylthieno[3,2-b]pyrrole-6-carboxylate?
The IUPAC name of ethyl 2-(3-chlorophenyl)-5-hydroxy-4-methylthieno[3,2-b]pyrrole-6-carboxylate (CID 135481181) is ethyl 2-(3-chlorophenyl)-5-hydroxy-4-methylthieno[3,2-b]pyrrole-6-carboxylate.
What is the SMILES notation for ethyl 2-(3-chlorophenyl)-5-hydroxy-4-methylthieno[3,2-b]pyrrole-6-carboxylate?
The canonical SMILES for ethyl 2-(3-chlorophenyl)-5-hydroxy-4-methylthieno[3,2-b]pyrrole-6-carboxylate is CCOC(=O)c1c(O)n(C)c2cc(-c3cccc(Cl)c3)sc12.
What is the InChIKey of ethyl 2-(3-chlorophenyl)-5-hydroxy-4-methylthieno[3,2-b]pyrrole-6-carboxylate?
The InChIKey is GAOHORSPHGDZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3S/c1-3-21-16(20)13-14-11(18(2)15(13)19)8-12(22-14)9-5-4-6-10(17)7-9/h4-8,19H,3H2,1-2H3.
What are the key properties of ethyl 2-(3-chlorophenyl)-5-hydroxy-4-methylthieno[3,2-b]pyrrole-6-carboxylate?
ethyl 2-(3-chlorophenyl)-5-hydroxy-4-methylthieno[3,2-b]pyrrole-6-carboxylate has a molecular weight of 335.81 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chlorophenyl)-5-hydroxy-4-methylthieno[3,2-b]pyrrole-6-carboxylate is sourced from PubChem (CID 135481181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).