1-(1H-indol-6-yl)-3-phenylsulfanylpyrrolidine-2,5-dione

C18H14N2O2S — CID 19058537

IUPAC1-(1H-indol-6-yl)-3-phenylsulfanylpyrrolidine-2,5-dione
SMILESO=C1CC(Sc2ccccc2)C(=O)N1c1ccc2cc[nH]c2c1
InChIInChI=1S/C18H14N2O2S/c21-17-11-16(23-14-4-2-1-3-5-14)18(22)20(17)13-7-6-12-8-9-19-15(12)10-13/h1-10,16,19H,11H2
InChIKeyTUBPGRIHWVTBDJ-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.59
Rot. Bonds3

About 1-(1H-indol-6-yl)-3-phenylsulfanylpyrrolidine-2,5-dione

1-(1H-indol-6-yl)-3-phenylsulfanylpyrrolidine-2,5-dione (PubChem CID 19058537) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is 1-(1H-indol-6-yl)-3-phenylsulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(1H-indol-6-yl)-3-phenylsulfanylpyrrolidine-2,5-dione
PubChem CID19058537
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC Name1-(1H-indol-6-yl)-3-phenylsulfanylpyrrolidine-2,5-dione
SMILESO=C1CC(Sc2ccccc2)C(=O)N1c1ccc2cc[nH]c2c1
InChIInChI=1S/C18H14N2O2S/c21-17-11-16(23-14-4-2-1-3-5-14)18(22)20(17)13-7-6-12-8-9-19-15(12)10-13/h1-10,16,19H,11H2
InChIKeyTUBPGRIHWVTBDJ-UHFFFAOYSA-N
XLogP3.59
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1H-indol-6-yl)-3-phenylsulfanylpyrrolidine-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

N-[3-[1-(1H-indol-6-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]-2-phenoxyacetamide
CID 19058375
2-fluoro-N-[3-[1-(1H-indol-6-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]benzamide
CID 19058369
2-[1-(1H-indol-6-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid
CID 19058038
N-[3-[1-(1H-indol-6-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 19058383
1-(1H-indol-6-yl)-3-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione
CID 19058109
2-amino-6-[1-(1H-indol-6-yl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
CID 19058492
3-[4-[(3,4-dimethoxyphenyl)methylideneamino]phenyl]sulfanyl-1-(1H-indol-6-yl)pyrrolidine-2,5-dione
CID 19058603
(3R)-3-(4-fluorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 774602
3-(furan-2-ylmethylsulfanyl)-1-(1H-indol-6-yl)pyrrolidine-2,5-dione
CID 19058535
N-[3-[1-(1H-indol-6-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 19058365
3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 138975835
3-(4-methoxyphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 12689585

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-6-yl)-3-phenylsulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(1H-indol-6-yl)-3-phenylsulfanylpyrrolidine-2,5-dione (CID 19058537) is 1-(1H-indol-6-yl)-3-phenylsulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(1H-indol-6-yl)-3-phenylsulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(1H-indol-6-yl)-3-phenylsulfanylpyrrolidine-2,5-dione is O=C1CC(Sc2ccccc2)C(=O)N1c1ccc2cc[nH]c2c1.
What is the InChIKey of 1-(1H-indol-6-yl)-3-phenylsulfanylpyrrolidine-2,5-dione?
The InChIKey is TUBPGRIHWVTBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S/c21-17-11-16(23-14-4-2-1-3-5-14)18(22)20(17)13-7-6-12-8-9-19-15(12)10-13/h1-10,16,19H,11H2.
What are the key properties of 1-(1H-indol-6-yl)-3-phenylsulfanylpyrrolidine-2,5-dione?
1-(1H-indol-6-yl)-3-phenylsulfanylpyrrolidine-2,5-dione has a molecular weight of 322.39 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-6-yl)-3-phenylsulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 19058537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).