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

C17H15NO3S — CID 12689585

IUPAC3-(4-methoxyphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
SMILESCOc1ccc(SC2CC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C17H15NO3S/c1-21-13-7-9-14(10-8-13)22-15-11-16(19)18(17(15)20)12-5-3-2-4-6-12/h2-10,15H,11H2,1H3
InChIKeyJKPWUNCQUVITFB-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.12
Rot. Bonds4

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

3-(4-methoxyphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione (PubChem CID 12689585) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
PubChem CID12689585
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name3-(4-methoxyphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
SMILESCOc1ccc(SC2CC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C17H15NO3S/c1-21-13-7-9-14(10-8-13)22-15-11-16(19)18(17(15)20)12-5-3-2-4-6-12/h2-10,15H,11H2,1H3
InChIKeyJKPWUNCQUVITFB-UHFFFAOYSA-N
XLogP3.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylphenyl]-4-methoxybenzamide
CID 22779670
(3R)-3-(4-fluorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 774602
(3S)-3-(3-aminophenyl)sulfanyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 98470653
3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 138975835
(3R)-1-(4-methoxyphenyl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione
CID 1332861
N-[4-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]-2-methylbenzamide
CID 22781964
(3R)-3-(4-chlorophenyl)sulfanyl-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 1344999
3-(4-aminophenyl)sulfanyl-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 53269707
methyl 4-[3-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23099079
(3S)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 2059029
(2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]carbamimidothioate
CID 11836550
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 2888938

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-methoxyphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione (CID 12689585) is 3-(4-methoxyphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-methoxyphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione is COc1ccc(SC2CC(=O)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione?
The InChIKey is JKPWUNCQUVITFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-21-13-7-9-14(10-8-13)22-15-11-16(19)18(17(15)20)12-5-3-2-4-6-12/h2-10,15H,11H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione?
3-(4-methoxyphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione has a molecular weight of 313.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 12689585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).