[2-(5-methylthiophen-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate

C21H21NO4S — CID 71897607

IUPAC[2-(5-methylthiophen-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccc(C(=O)COC(=O)C2CC(=O)N(c3ccc4c(c3)CCC4)C2)s1
InChIInChI=1S/C21H21NO4S/c1-13-5-8-19(27-13)18(23)12-26-21(25)16-10-20(24)22(11-16)17-7-6-14-3-2-4-15(14)9-17/h5-9,16H,2-4,10-12H2,1H3
InChIKeyOSNCRLUOWKYKKT-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.32
Rot. Bonds5

About [2-(5-methylthiophen-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate

[2-(5-methylthiophen-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 71897607) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is [2-(5-methylthiophen-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-(5-methylthiophen-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate
PubChem CID71897607
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC Name[2-(5-methylthiophen-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccc(C(=O)COC(=O)C2CC(=O)N(c3ccc4c(c3)CCC4)C2)s1
InChIInChI=1S/C21H21NO4S/c1-13-5-8-19(27-13)18(23)12-26-21(25)16-10-20(24)22(11-16)17-7-6-14-3-2-4-15(14)9-17/h5-9,16H,2-4,10-12H2,1H3
InChIKeyOSNCRLUOWKYKKT-UHFFFAOYSA-N
XLogP3.32
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(5-methylthiophen-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-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

2-hydroxyethyl (3R)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate
CID 97185349
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate
CID 71897715
(4-methylphenyl) 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate
CID 43059386
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylate
CID 2112928
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838721
ethyl (3S)-1-[4-[(4R)-4-ethoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076249
1-(2,3-dihydro-1H-inden-5-yl)-N-(5-methyl-2H-triazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 167780443
1-(2,3-dihydro-1H-inden-5-yl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
CID 146154255
[2-(4-chlorophenyl)-2-oxoethyl] 1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 23824586
(3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide
CID 51983166
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] (3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7824374
[2-(2-acetylhydrazinyl)-2-oxoethyl] (3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8524368

Frequently Asked Questions

What is the IUPAC name of [2-(5-methylthiophen-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-(5-methylthiophen-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate (CID 71897607) is [2-(5-methylthiophen-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-(5-methylthiophen-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-(5-methylthiophen-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate is Cc1ccc(C(=O)COC(=O)C2CC(=O)N(c3ccc4c(c3)CCC4)C2)s1.
What is the InChIKey of [2-(5-methylthiophen-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is OSNCRLUOWKYKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-13-5-8-19(27-13)18(23)12-26-21(25)16-10-20(24)22(11-16)17-7-6-14-3-2-4-15(14)9-17/h5-9,16H,2-4,10-12H2,1H3.
What are the key properties of [2-(5-methylthiophen-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate?
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 383.47 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methylthiophen-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 71897607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).