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

C24H22N2O4S — CID 110591929

IUPAC1-(2,4-dimethoxyphenyl)-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCCc1ccc(NC2=C(c3cccs3)C(=O)N(c3ccc(OC)cc3OC)C2=O)cc1
InChIInChI=1S/C24H22N2O4S/c1-4-15-7-9-16(10-8-15)25-22-21(20-6-5-13-31-20)23(27)26(24(22)28)18-12-11-17(29-2)14-19(18)30-3/h5-14,25H,4H2,1-3H3
InChIKeyHRTLNSIPLRUHOW-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.72
Rot. Bonds7

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

1-(2,4-dimethoxyphenyl)-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110591929) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110591929
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name1-(2,4-dimethoxyphenyl)-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCCc1ccc(NC2=C(c3cccs3)C(=O)N(c3ccc(OC)cc3OC)C2=O)cc1
InChIInChI=1S/C24H22N2O4S/c1-4-15-7-9-16(10-8-15)25-22-21(20-6-5-13-31-20)23(27)26(24(22)28)18-12-11-17(29-2)14-19(18)30-3/h5-14,25H,4H2,1-3H3
InChIKeyHRTLNSIPLRUHOW-UHFFFAOYSA-N
XLogP4.72
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione (CID 110591929) is 1-(2,4-dimethoxyphenyl)-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione is CCc1ccc(NC2=C(c3cccs3)C(=O)N(c3ccc(OC)cc3OC)C2=O)cc1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is HRTLNSIPLRUHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-4-15-7-9-16(10-8-15)25-22-21(20-6-5-13-31-20)23(27)26(24(22)28)18-12-11-17(29-2)14-19(18)30-3/h5-14,25H,4H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione?
1-(2,4-dimethoxyphenyl)-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 434.52 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110591929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).