(3R)-3-(4-methylsulfanylanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione

C19H20N2O2S — CID 51509569

IUPAC(3R)-3-(4-methylsulfanylanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESCSc1ccc(N[C@@H]2CC(=O)N(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H20N2O2S/c1-24-16-9-7-15(8-10-16)20-17-13-18(22)21(19(17)23)12-11-14-5-3-2-4-6-14/h2-10,17,20H,11-13H2,1H3/t17-/m1/s1
InChIKeyZKICOBKPQAXYRZ-QGZVFWFLSA-N
MW340.45 g/mol
LogP3.19
Rot. Bonds6

About (3R)-3-(4-methylsulfanylanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione

(3R)-3-(4-methylsulfanylanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione (PubChem CID 51509569) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is (3R)-3-(4-methylsulfanylanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(4-methylsulfanylanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione
PubChem CID51509569
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name(3R)-3-(4-methylsulfanylanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESCSc1ccc(N[C@@H]2CC(=O)N(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H20N2O2S/c1-24-16-9-7-15(8-10-16)20-17-13-18(22)21(19(17)23)12-11-14-5-3-2-4-6-14/h2-10,17,20H,11-13H2,1H3/t17-/m1/s1
InChIKeyZKICOBKPQAXYRZ-QGZVFWFLSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R)-3-(4-methylsulfanylanilino)-1-(2-phenylethyl)pyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methylsulfanylanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(4-methylsulfanylanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione (CID 51509569) is (3R)-3-(4-methylsulfanylanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(4-methylsulfanylanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(4-methylsulfanylanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione is CSc1ccc(N[C@@H]2CC(=O)N(CCc3ccccc3)C2=O)cc1.
What is the InChIKey of (3R)-3-(4-methylsulfanylanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The InChIKey is ZKICOBKPQAXYRZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-24-16-9-7-15(8-10-16)20-17-13-18(22)21(19(17)23)12-11-14-5-3-2-4-6-14/h2-10,17,20H,11-13H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-3-(4-methylsulfanylanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione?
(3R)-3-(4-methylsulfanylanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione has a molecular weight of 340.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methylsulfanylanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 51509569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).