3-(2-methoxyphenyl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione

C24H16F3NO3S — CID 110566783

IUPAC3-(2-methoxyphenyl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Sc2ccccc2)C(=O)N(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C24H16F3NO3S/c1-31-19-13-6-5-12-18(19)20-21(32-17-10-3-2-4-11-17)23(30)28(22(20)29)16-9-7-8-15(14-16)24(25,26)27/h2-14H,1H3
InChIKeyABGJYRDAHNVSJY-UHFFFAOYSA-N
MW455.46 g/mol
LogP5.79
Rot. Bonds5

About 3-(2-methoxyphenyl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione

3-(2-methoxyphenyl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione (PubChem CID 110566783) has the molecular formula C24H16F3NO3S and a molecular weight of 455.46 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
PubChem CID110566783
Molecular FormulaC24H16F3NO3S
Molecular Weight455.46 g/mol
Exact Mass455.08
IUPAC Name3-(2-methoxyphenyl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Sc2ccccc2)C(=O)N(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C24H16F3NO3S/c1-31-19-13-6-5-12-18(19)20-21(32-17-10-3-2-4-11-17)23(30)28(22(20)29)16-9-7-8-15(14-16)24(25,26)27/h2-14H,1H3
InChIKeyABGJYRDAHNVSJY-UHFFFAOYSA-N
XLogP5.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.46
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-methoxyphenyl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-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

Related Compounds

3-(2-methoxyphenyl)-1-(3-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110567255
3-chloro-4-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110583854
3-(4-fluorophenyl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110544764
1-(2,5-difluorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110567821
3-phenylsulfanyl-4-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110554086
1-(2-chlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110567863
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110567492
1-(2,5-dichlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110567837
1-(3,4-dimethoxyphenyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione
CID 110561495
3-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110564712
1-(3-fluorophenyl)-3-(4-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110557070
1-butyl-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110565822

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 3-(2-methoxyphenyl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione (CID 110566783) is 3-(2-methoxyphenyl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(2-methoxyphenyl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 3-(2-methoxyphenyl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione is COc1ccccc1C1=C(Sc2ccccc2)C(=O)N(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The InChIKey is ABGJYRDAHNVSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3NO3S/c1-31-19-13-6-5-12-18(19)20-21(32-17-10-3-2-4-11-17)23(30)28(22(20)29)16-9-7-8-15(14-16)24(25,26)27/h2-14H,1H3.
What are the key properties of 3-(2-methoxyphenyl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
3-(2-methoxyphenyl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione has a molecular weight of 455.46 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 110566783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).