3-ethylsulfanyl-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione

C20H19NO2S — CID 110558839

IUPAC3-ethylsulfanyl-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione
SMILESCCSC1=C(c2ccccc2)C(=O)N(CCc2ccccc2)C1=O
InChIInChI=1S/C20H19NO2S/c1-2-24-18-17(16-11-7-4-8-12-16)19(22)21(20(18)23)14-13-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3
InChIKeyWIKNJXMYPWHVIW-UHFFFAOYSA-N
MW337.44 g/mol
LogP3.76
Rot. Bonds6

About 3-ethylsulfanyl-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione

3-ethylsulfanyl-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione (PubChem CID 110558839) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is 3-ethylsulfanyl-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-ethylsulfanyl-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione
PubChem CID110558839
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name3-ethylsulfanyl-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione
SMILESCCSC1=C(c2ccccc2)C(=O)N(CCc2ccccc2)C1=O
InChIInChI=1S/C20H19NO2S/c1-2-24-18-17(16-11-7-4-8-12-16)19(22)21(20(18)23)14-13-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3
InChIKeyWIKNJXMYPWHVIW-UHFFFAOYSA-N
XLogP3.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethylsulfanyl-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
CID 110559548
3-ethylsulfanyl-1-[2-(1-methylindol-3-yl)ethyl]-4-phenylpyrrole-2,5-dione
CID 110558563
3-ethylsulfanyl-4-phenyl-1-prop-2-enylpyrrole-2,5-dione
CID 110560073
3-(4-chlorophenyl)-4-ethylsulfanyl-1-[2-(4-methoxyphenyl)ethyl]pyrrole-2,5-dione
CID 110569221
3-benzylsulfanyl-4-(4-methylphenyl)-1-propylpyrrole-2,5-dione
CID 110572421
3-ethylsulfanyl-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione
CID 110558412
3-(2-hydroxyethylsulfanyl)-4-phenyl-1-propylpyrrole-2,5-dione
CID 110559408
3-benzylsulfanyl-1-(3-ethoxypropyl)-4-phenylpyrrole-2,5-dione
CID 110560148
3-anilino-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110594191
3-benzylsulfanyl-1-butyl-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572382
3-ethylsulfanyl-1-hexyl-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572963
1-[2-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110571860

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione?
The IUPAC name of 3-ethylsulfanyl-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione (CID 110558839) is 3-ethylsulfanyl-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-ethylsulfanyl-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-ethylsulfanyl-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione is CCSC1=C(c2ccccc2)C(=O)N(CCc2ccccc2)C1=O.
What is the InChIKey of 3-ethylsulfanyl-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione?
The InChIKey is WIKNJXMYPWHVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-2-24-18-17(16-11-7-4-8-12-16)19(22)21(20(18)23)14-13-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3.
What are the key properties of 3-ethylsulfanyl-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione?
3-ethylsulfanyl-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione has a molecular weight of 337.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110558839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).