3-(2-aminophenyl)sulfanyl-1-(4-ethylphenyl)pyrrolidine-2,5-dione

C18H18N2O2S — CID 2731191

IUPAC3-(2-aminophenyl)sulfanyl-1-(4-ethylphenyl)pyrrolidine-2,5-dione
SMILESCCc1ccc(N2C(=O)CC(Sc3ccccc3N)C2=O)cc1
InChIInChI=1S/C18H18N2O2S/c1-2-12-7-9-13(10-8-12)20-17(21)11-16(18(20)22)23-15-6-4-3-5-14(15)19/h3-10,16H,2,11,19H2,1H3
InChIKeyFIQAPNFFUSUQJG-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.26
Rot. Bonds4

About 3-(2-aminophenyl)sulfanyl-1-(4-ethylphenyl)pyrrolidine-2,5-dione

3-(2-aminophenyl)sulfanyl-1-(4-ethylphenyl)pyrrolidine-2,5-dione (PubChem CID 2731191) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-(2-aminophenyl)sulfanyl-1-(4-ethylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-aminophenyl)sulfanyl-1-(4-ethylphenyl)pyrrolidine-2,5-dione
PubChem CID2731191
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name3-(2-aminophenyl)sulfanyl-1-(4-ethylphenyl)pyrrolidine-2,5-dione
SMILESCCc1ccc(N2C(=O)CC(Sc3ccccc3N)C2=O)cc1
InChIInChI=1S/C18H18N2O2S/c1-2-12-7-9-13(10-8-12)20-17(21)11-16(18(20)22)23-15-6-4-3-5-14(15)19/h3-10,16H,2,11,19H2,1H3
InChIKeyFIQAPNFFUSUQJG-UHFFFAOYSA-N
XLogP3.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-aminophenyl)sulfanyl-1-(4-ethylphenyl)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 3-(2-aminophenyl)sulfanyl-1-(4-ethylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-aminophenyl)sulfanyl-1-(4-ethylphenyl)pyrrolidine-2,5-dione (CID 2731191) is 3-(2-aminophenyl)sulfanyl-1-(4-ethylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-aminophenyl)sulfanyl-1-(4-ethylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-aminophenyl)sulfanyl-1-(4-ethylphenyl)pyrrolidine-2,5-dione is CCc1ccc(N2C(=O)CC(Sc3ccccc3N)C2=O)cc1.
What is the InChIKey of 3-(2-aminophenyl)sulfanyl-1-(4-ethylphenyl)pyrrolidine-2,5-dione?
The InChIKey is FIQAPNFFUSUQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-2-12-7-9-13(10-8-12)20-17(21)11-16(18(20)22)23-15-6-4-3-5-14(15)19/h3-10,16H,2,11,19H2,1H3.
What are the key properties of 3-(2-aminophenyl)sulfanyl-1-(4-ethylphenyl)pyrrolidine-2,5-dione?
3-(2-aminophenyl)sulfanyl-1-(4-ethylphenyl)pyrrolidine-2,5-dione has a molecular weight of 326.42 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)sulfanyl-1-(4-ethylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2731191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).