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

C20H20N2O3S — CID 651808

IUPACethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2sc(C)cc2n1CC(=O)N1CCc2ccccc21
InChIInChI=1S/C20H20N2O3S/c1-3-25-20(24)17-11-18-16(10-13(2)26-18)22(17)12-19(23)21-9-8-14-6-4-5-7-15(14)21/h4-7,10-11H,3,8-9,12H2,1-2H3
InChIKeyNVHUTMPMECINIH-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.78
Rot. Bonds4

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

ethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 651808) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is ethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate
PubChem CID651808
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Nameethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2sc(C)cc2n1CC(=O)N1CCc2ccccc21
InChIInChI=1S/C20H20N2O3S/c1-3-25-20(24)17-11-18-16(10-13(2)26-18)22(17)12-19(23)21-9-8-14-6-4-5-7-15(14)21/h4-7,10-11H,3,8-9,12H2,1-2H3
InChIKeyNVHUTMPMECINIH-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 4-{[ethyl(3-methylphenyl)carbamoyl]methyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate
CID 16011099
N-(3-(methoxymethyl)phenyl)-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 51049245
methyl 1-methyl-3-(phenylthio)-1H-indole-2-carboxylate
CID 20888286
4-Benzyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 649131
4-[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl]-2-methyl-5-thieno[3,2-b]pyrrolecarboxylic acid ethyl ester
CID 645743
4-(4-Cyano-benzyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 646989
4-(2-Oxo-2-pyrrolidin-1-yl-ethyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 648676
2-[[(4-Methyl-5-thieno[3,2-b]pyrrolyl)-oxomethyl]amino]benzoic acid methyl ester
CID 649869
2-Methyl-4-[2-oxo-2-(2-phenylethylamino)ethyl]-5-thieno[3,2-b]pyrrolecarboxylic acid ethyl ester
CID 650749
4-Ethoxycarbonylmethyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 650948
3-[(4-Methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl)-amino]-benzoic acid ethyl ester
CID 651357
4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid 1-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-propyl ester
CID 651900

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate (CID 651808) is ethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2sc(C)cc2n1CC(=O)N1CCc2ccccc21.
What is the InChIKey of ethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is NVHUTMPMECINIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-3-25-20(24)17-11-18-16(10-13(2)26-18)22(17)12-19(23)21-9-8-14-6-4-5-7-15(14)21/h4-7,10-11H,3,8-9,12H2,1-2H3.
What are the key properties of ethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate?
ethyl 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 368.46 g/mol, XLogP of 3.78, 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]-2-methylthieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 651808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).