1-phenyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione

C20H13NO2S2 — CID 110554561

IUPAC1-phenyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESO=C1C(Sc2ccccc2)=C(c2cccs2)C(=O)N1c1ccccc1
InChIInChI=1S/C20H13NO2S2/c22-19-17(16-12-7-13-24-16)18(25-15-10-5-2-6-11-15)20(23)21(19)14-8-3-1-4-9-14/h1-13H
InChIKeyYKXVBYOWGRRUEZ-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.82
Rot. Bonds4

About 1-phenyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione

1-phenyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110554561) has the molecular formula C20H13NO2S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-phenyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-phenyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110554561
Molecular FormulaC20H13NO2S2
Molecular Weight363.46 g/mol
Exact Mass363.04
IUPAC Name1-phenyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESO=C1C(Sc2ccccc2)=C(c2cccs2)C(=O)N1c1ccccc1
InChIInChI=1S/C20H13NO2S2/c22-19-17(16-12-7-13-24-16)18(25-15-10-5-2-6-11-15)20(23)21(19)14-8-3-1-4-9-14/h1-13H
InChIKeyYKXVBYOWGRRUEZ-UHFFFAOYSA-N
XLogP4.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.82
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

4-(2,5-dioxo-3-phenylsulfanyl-4-thiophen-2-ylpyrrol-1-yl)benzenesulfonamide
CID 110554649
3-phenylsulfanyl-4-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110554086
N-[4-(2,5-dioxo-3-phenylsulfanyl-4-thiophen-2-ylpyrrol-1-yl)phenyl]acetamide
CID 110554773
1-(2-chlorophenyl)-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555567
1-methyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553017
3-(4-chlorophenyl)sulfanyl-1-(4-ethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554316
1-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)sulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554523
3-(4-chlorophenyl)sulfanyl-1-(3,4-dimethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554251
1-(2-methoxyethyl)-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553079
1-pentyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552861
3-(furan-2-ylmethylsulfanyl)-1-phenyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554565
3-ethylsulfanyl-1-(4-phenoxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555143

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 1-phenyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione (CID 110554561) is 1-phenyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-phenyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 1-phenyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione is O=C1C(Sc2ccccc2)=C(c2cccs2)C(=O)N1c1ccccc1.
What is the InChIKey of 1-phenyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is YKXVBYOWGRRUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO2S2/c22-19-17(16-12-7-13-24-16)18(25-15-10-5-2-6-11-15)20(23)21(19)14-8-3-1-4-9-14/h1-13H.
What are the key properties of 1-phenyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione?
1-phenyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 363.46 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110554561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).