3-(4-methylphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione

C17H15NO2S — CID 2841384

IUPAC3-(4-methylphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
SMILESCc1ccc(SC2CC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C17H15NO2S/c1-12-7-9-14(10-8-12)21-15-11-16(19)18(17(15)20)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
InChIKeySHJLBPUTXATXRW-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.42
Rot. Bonds3

About 3-(4-methylphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione

3-(4-methylphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione (PubChem CID 2841384) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
PubChem CID2841384
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name3-(4-methylphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
SMILESCc1ccc(SC2CC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C17H15NO2S/c1-12-7-9-14(10-8-12)21-15-11-16(19)18(17(15)20)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
InChIKeySHJLBPUTXATXRW-UHFFFAOYSA-N
XLogP3.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-methylphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione (CID 2841384) is 3-(4-methylphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-methylphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-methylphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione is Cc1ccc(SC2CC(=O)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione?
The InChIKey is SHJLBPUTXATXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-12-7-9-14(10-8-12)21-15-11-16(19)18(17(15)20)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3.
What are the key properties of 3-(4-methylphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione?
3-(4-methylphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione has a molecular weight of 297.38 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 2841384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).