3-(2-hydroxyethylsulfanyl)-1-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione

C20H18N2O3S2 — CID 110552145

IUPAC3-(2-hydroxyethylsulfanyl)-1-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione
SMILESO=C1C(SCCO)=C(c2cccs2)C(=O)N1CCc1c[nH]c2ccccc12
InChIInChI=1S/C20H18N2O3S2/c23-9-11-27-18-17(16-6-3-10-26-16)19(24)22(20(18)25)8-7-13-12-21-15-5-2-1-4-14(13)15/h1-6,10,12,21,23H,7-9,11H2
InChIKeyHNBBTKNBQRRKKH-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.28
Rot. Bonds7

About 3-(2-hydroxyethylsulfanyl)-1-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione

3-(2-hydroxyethylsulfanyl)-1-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110552145) has the molecular formula C20H18N2O3S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-(2-hydroxyethylsulfanyl)-1-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-hydroxyethylsulfanyl)-1-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110552145
Molecular FormulaC20H18N2O3S2
Molecular Weight398.51 g/mol
Exact Mass398.08
IUPAC Name3-(2-hydroxyethylsulfanyl)-1-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione
SMILESO=C1C(SCCO)=C(c2cccs2)C(=O)N1CCc1c[nH]c2ccccc12
InChIInChI=1S/C20H18N2O3S2/c23-9-11-27-18-17(16-6-3-10-26-16)19(24)22(20(18)25)8-7-13-12-21-15-5-2-1-4-14(13)15/h1-6,10,12,21,23H,7-9,11H2
InChIKeyHNBBTKNBQRRKKH-UHFFFAOYSA-N
XLogP3.28
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(2-hydroxyethylsulfanyl)-1-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione 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

3-ethylsulfanyl-1-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110555711
1-(2-fluorophenyl)-3-(2-hydroxyethylsulfanyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554156
3-(4-chlorophenyl)sulfanyl-1-[2-(1H-indol-3-yl)ethyl]-4-phenylpyrrole-2,5-dione
CID 110558539
3-(4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]-1-[2-(1H-indol-3-yl)ethyl]pyrrole-2,5-dione
CID 110543024
2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione
CID 906585
6-hydroxy-1,3-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-dione
CID 90716219
2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione
CID 1204633
2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione
CID 3775891
(5S)-3-[2-(1H-indol-3-yl)ethyl]-5-methyl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one
CID 135010471
2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 906603
3-benzylsulfanyl-1-hexyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553510
1-[2-(1H-indol-3-yl)ethyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110558522

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylsulfanyl)-1-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(2-hydroxyethylsulfanyl)-1-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione (CID 110552145) is 3-(2-hydroxyethylsulfanyl)-1-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2-hydroxyethylsulfanyl)-1-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(2-hydroxyethylsulfanyl)-1-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione is O=C1C(SCCO)=C(c2cccs2)C(=O)N1CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(2-hydroxyethylsulfanyl)-1-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is HNBBTKNBQRRKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S2/c23-9-11-27-18-17(16-6-3-10-26-16)19(24)22(20(18)25)8-7-13-12-21-15-5-2-1-4-14(13)15/h1-6,10,12,21,23H,7-9,11H2.
What are the key properties of 3-(2-hydroxyethylsulfanyl)-1-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione?
3-(2-hydroxyethylsulfanyl)-1-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 398.51 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylsulfanyl)-1-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110552145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).