1-(3,4-dimethoxyphenyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione

C24H19NO4S — CID 110561495

IUPAC1-(3,4-dimethoxyphenyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C(Sc3ccccc3)=C(c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C24H19NO4S/c1-28-19-14-13-17(15-20(19)29-2)25-23(26)21(16-9-5-3-6-10-16)22(24(25)27)30-18-11-7-4-8-12-18/h3-15H,1-2H3
InChIKeyXMQXGXXIYHVRDD-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.78
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione

1-(3,4-dimethoxyphenyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione (PubChem CID 110561495) has the molecular formula C24H19NO4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione
PubChem CID110561495
Molecular FormulaC24H19NO4S
Molecular Weight417.49 g/mol
Exact Mass417.10
IUPAC Name1-(3,4-dimethoxyphenyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C(Sc3ccccc3)=C(c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C24H19NO4S/c1-28-19-14-13-17(15-20(19)29-2)25-23(26)21(16-9-5-3-6-10-16)22(24(25)27)30-18-11-7-4-8-12-18/h3-15H,1-2H3
InChIKeyXMQXGXXIYHVRDD-UHFFFAOYSA-N
XLogP4.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110564712
1-(3,4-dimethoxyphenyl)-3-phenyl-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110561498
1-(2-methoxy-5-methylphenyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione
CID 110561802
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110571146
3-(3,4-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110564861
1-(3-fluorophenyl)-3-(4-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110557070
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110557545
3-phenyl-4-phenylsulfanyl-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110561367
3-(2-methoxyphenyl)-1-(3-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110567255
3-phenyl-4-phenylsulfanyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110562068
1-(3-methoxyphenyl)-3-phenylsulfanyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574859
3-(4-chlorophenyl)-1-(2-methoxy-5-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110571214

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione (CID 110561495) is 1-(3,4-dimethoxyphenyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione is COc1ccc(N2C(=O)C(Sc3ccccc3)=C(c3ccccc3)C2=O)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione?
The InChIKey is XMQXGXXIYHVRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4S/c1-28-19-14-13-17(15-20(19)29-2)25-23(26)21(16-9-5-3-6-10-16)22(24(25)27)30-18-11-7-4-8-12-18/h3-15H,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione?
1-(3,4-dimethoxyphenyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione has a molecular weight of 417.49 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione is sourced from PubChem (CID 110561495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).