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

C24H22N2O6S — CID 110591598

IUPAC3-(3,5-dimethoxyanilino)-1-(2,5-dimethoxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCOc1cc(NC2=C(c3cccs3)C(=O)N(c3cc(OC)ccc3OC)C2=O)cc(OC)c1
InChIInChI=1S/C24H22N2O6S/c1-29-15-7-8-19(32-4)18(13-15)26-23(27)21(20-6-5-9-33-20)22(24(26)28)25-14-10-16(30-2)12-17(11-14)31-3/h5-13,25H,1-4H3
InChIKeyHUJYLJCMZJWWOL-UHFFFAOYSA-N
MW466.52 g/mol
LogP4.18
Rot. Bonds8

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

3-(3,5-dimethoxyanilino)-1-(2,5-dimethoxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110591598) has the molecular formula C24H22N2O6S and a molecular weight of 466.52 g/mol. Its IUPAC name is 3-(3,5-dimethoxyanilino)-1-(2,5-dimethoxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,5-dimethoxyanilino)-1-(2,5-dimethoxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110591598
Molecular FormulaC24H22N2O6S
Molecular Weight466.52 g/mol
Exact Mass466.12
IUPAC Name3-(3,5-dimethoxyanilino)-1-(2,5-dimethoxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCOc1cc(NC2=C(c3cccs3)C(=O)N(c3cc(OC)ccc3OC)C2=O)cc(OC)c1
InChIInChI=1S/C24H22N2O6S/c1-29-15-7-8-19(32-4)18(13-15)26-23(27)21(20-6-5-9-33-20)22(24(26)28)25-14-10-16(30-2)12-17(11-14)31-3/h5-13,25H,1-4H3
InChIKeyHUJYLJCMZJWWOL-UHFFFAOYSA-N
XLogP4.18
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethoxyphenyl)-3-(3-methoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591599
1-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591602
1-(2,4-dimethoxyphenyl)-3-(3-methoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591917
1-(2,5-dimethoxyphenyl)-3-(2,5-dimethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591613
3-(3,5-dimethoxyanilino)-1-phenyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591778
3-(3,5-dimethylanilino)-1-(2-methoxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110592111
3-(4-ethoxyanilino)-1-(2-methoxy-5-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110592222
1-(2,4-dimethoxyphenyl)-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591929
3-(2,5-dimethoxyanilino)-1-(2-propan-2-yloxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110592027
3-(3,5-dimethoxyanilino)-1-(3-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591306
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

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyanilino)-1-(2,5-dimethoxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(3,5-dimethoxyanilino)-1-(2,5-dimethoxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione (CID 110591598) is 3-(3,5-dimethoxyanilino)-1-(2,5-dimethoxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(3,5-dimethoxyanilino)-1-(2,5-dimethoxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(3,5-dimethoxyanilino)-1-(2,5-dimethoxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione is COc1cc(NC2=C(c3cccs3)C(=O)N(c3cc(OC)ccc3OC)C2=O)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxyanilino)-1-(2,5-dimethoxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is HUJYLJCMZJWWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O6S/c1-29-15-7-8-19(32-4)18(13-15)26-23(27)21(20-6-5-9-33-20)22(24(26)28)25-14-10-16(30-2)12-17(11-14)31-3/h5-13,25H,1-4H3.
What are the key properties of 3-(3,5-dimethoxyanilino)-1-(2,5-dimethoxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione?
3-(3,5-dimethoxyanilino)-1-(2,5-dimethoxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 466.52 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyanilino)-1-(2,5-dimethoxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110591598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).