ethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate

C19H18N2O3S — CID 648405

IUPACethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2sccc2n1CC(=O)N1CCc2ccccc21
InChIInChI=1S/C19H18N2O3S/c1-2-24-19(23)16-11-17-15(8-10-25-17)21(16)12-18(22)20-9-7-13-5-3-4-6-14(13)20/h3-6,8,10-11H,2,7,9,12H2,1H3
InChIKeySXZKAUXPVCKOSL-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.47
Rot. Bonds4

About ethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate

ethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 648405) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is ethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
PubChem CID648405
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Nameethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2sccc2n1CC(=O)N1CCc2ccccc21
InChIInChI=1S/C19H18N2O3S/c1-2-24-19(23)16-11-17-15(8-10-25-17)21(16)12-18(22)20-9-7-13-5-3-4-6-14(13)20/h3-6,8,10-11H,2,7,9,12H2,1H3
InChIKeySXZKAUXPVCKOSL-UHFFFAOYSA-N
XLogP3.47
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-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-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate (CID 648405) is ethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2sccc2n1CC(=O)N1CCc2ccccc21.
What is the InChIKey of ethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is SXZKAUXPVCKOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-2-24-19(23)16-11-17-15(8-10-25-17)21(16)12-18(22)20-9-7-13-5-3-4-6-14(13)20/h3-6,8,10-11H,2,7,9,12H2,1H3.
What are the key properties of ethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate?
ethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 354.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 648405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).