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

C20H20N2O3S — CID 650283

IUPACethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2sccc2n1CC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C20H20N2O3S/c1-3-25-20(24)17-11-18-16(8-9-26-18)21(17)12-19(23)22-13(2)10-14-6-4-5-7-15(14)22/h4-9,11,13H,3,10,12H2,1-2H3
InChIKeyRUTPMPRKXUCPQD-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.86
Rot. Bonds4

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

ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 650283) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
PubChem CID650283
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Nameethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2sccc2n1CC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C20H20N2O3S/c1-3-25-20(24)17-11-18-16(8-9-26-18)21(17)12-19(23)22-13(2)10-14-6-4-5-7-15(14)22/h4-9,11,13H,3,10,12H2,1-2H3
InChIKeyRUTPMPRKXUCPQD-UHFFFAOYSA-N
XLogP3.86
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate (CID 650283) is ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2sccc2n1CC(=O)N1c2ccccc2CC1C.
What is the InChIKey of ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is RUTPMPRKXUCPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-3-25-20(24)17-11-18-16(8-9-26-18)21(17)12-19(23)22-13(2)10-14-6-4-5-7-15(14)22/h4-9,11,13H,3,10,12H2,1-2H3.
What are the key properties of ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate?
ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 368.46 g/mol, XLogP of 3.86, 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-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 650283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).