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

C20H20N2O3S — CID 1438909

IUPACethyl 4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2sccc2n1CC(=O)N1c2ccccc2C[C@H]1C
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/t13-/m1/s1
InChIKeyRUTPMPRKXUCPQD-CYBMUJFWSA-N
MW368.46 g/mol
LogP3.86
Rot. Bonds4

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

ethyl 4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 1438909) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is ethyl 4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
PubChem CID1438909
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Nameethyl 4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2sccc2n1CC(=O)N1c2ccccc2C[C@H]1C
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/t13-/m1/s1
InChIKeyRUTPMPRKXUCPQD-CYBMUJFWSA-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-[(2R)-2-methyl-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

Related Compounds

ethyl 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 1438921
ethyl 4-[2-(azepan-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 1438890
[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 3225351
1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one
CID 24587457
4-hydroxy-1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinolin-2-one
CID 54724425
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyltetrazol-1-yl)ethanone
CID 146126993
2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3569474
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 64685929
ethyl 1-ethyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate
CID 3306963
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate (CID 1438909) is ethyl 4-[2-[(2R)-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-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2sccc2n1CC(=O)N1c2ccccc2C[C@H]1C.
What is the InChIKey of ethyl 4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is RUTPMPRKXUCPQD-CYBMUJFWSA-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/t13-/m1/s1.
What are the key properties of ethyl 4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate?
ethyl 4-[2-[(2R)-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-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 1438909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).