3-(2,5-dimethoxyanilino)-1-(2-propan-2-yloxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione

C25H24N2O5S — CID 110592027

IUPAC3-(2,5-dimethoxyanilino)-1-(2-propan-2-yloxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCOc1ccc(OC)c(NC2=C(c3cccs3)C(=O)N(c3ccccc3OC(C)C)C2=O)c1
InChIInChI=1S/C25H24N2O5S/c1-15(2)32-20-9-6-5-8-18(20)27-24(28)22(21-10-7-13-33-21)23(25(27)29)26-17-14-16(30-3)11-12-19(17)31-4/h5-15,26H,1-4H3
InChIKeyPYXMWAWGDAGAIY-UHFFFAOYSA-N
MW464.54 g/mol
LogP4.95
Rot. Bonds8

About 3-(2,5-dimethoxyanilino)-1-(2-propan-2-yloxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione

3-(2,5-dimethoxyanilino)-1-(2-propan-2-yloxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110592027) has the molecular formula C25H24N2O5S and a molecular weight of 464.54 g/mol. Its IUPAC name is 3-(2,5-dimethoxyanilino)-1-(2-propan-2-yloxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,5-dimethoxyanilino)-1-(2-propan-2-yloxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110592027
Molecular FormulaC25H24N2O5S
Molecular Weight464.54 g/mol
Exact Mass464.14
IUPAC Name3-(2,5-dimethoxyanilino)-1-(2-propan-2-yloxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCOc1ccc(OC)c(NC2=C(c3cccs3)C(=O)N(c3ccccc3OC(C)C)C2=O)c1
InChIInChI=1S/C25H24N2O5S/c1-15(2)32-20-9-6-5-8-18(20)27-24(28)22(21-10-7-13-33-21)23(25(27)29)26-17-14-16(30-3)11-12-19(17)31-4/h5-15,26H,1-4H3
InChIKeyPYXMWAWGDAGAIY-UHFFFAOYSA-N
XLogP4.95
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethylanilino)-1-(2-propan-2-yloxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110592026
3-(2,5-dimethoxyanilino)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591393
1-(5-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591539
3-(3,5-dimethoxyanilino)-1-(2,5-dimethoxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591598
1-(2,4-dimethoxyphenyl)-3-(3-methoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591917
1-(2,5-dimethoxyphenyl)-3-(3-methoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591599
3-(2,5-dimethoxyanilino)-1-(3-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591325
1-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591602
1-(2,5-dimethoxyphenyl)-3-(2,5-dimethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591613
3-(2,5-dimethoxyanilino)-1-(2-methoxyethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590913
3-(3,5-dimethylanilino)-1-(2-methoxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110592111
3-(2,5-dimethoxyanilino)-4-phenyl-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110595679

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyanilino)-1-(2-propan-2-yloxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(2,5-dimethoxyanilino)-1-(2-propan-2-yloxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione (CID 110592027) is 3-(2,5-dimethoxyanilino)-1-(2-propan-2-yloxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,5-dimethoxyanilino)-1-(2-propan-2-yloxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,5-dimethoxyanilino)-1-(2-propan-2-yloxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione is COc1ccc(OC)c(NC2=C(c3cccs3)C(=O)N(c3ccccc3OC(C)C)C2=O)c1.
What is the InChIKey of 3-(2,5-dimethoxyanilino)-1-(2-propan-2-yloxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is PYXMWAWGDAGAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5S/c1-15(2)32-20-9-6-5-8-18(20)27-24(28)22(21-10-7-13-33-21)23(25(27)29)26-17-14-16(30-3)11-12-19(17)31-4/h5-15,26H,1-4H3.
What are the key properties of 3-(2,5-dimethoxyanilino)-1-(2-propan-2-yloxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione?
3-(2,5-dimethoxyanilino)-1-(2-propan-2-yloxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 464.54 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyanilino)-1-(2-propan-2-yloxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110592027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).