3-anilino-1-[2-(4-methoxyphenoxy)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione

C23H20N2O4S — CID 110590889

IUPAC3-anilino-1-[2-(4-methoxyphenoxy)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCOc1ccc(OCCN2C(=O)C(Nc3ccccc3)=C(c3cccs3)C2=O)cc1
InChIInChI=1S/C23H20N2O4S/c1-28-17-9-11-18(12-10-17)29-14-13-25-22(26)20(19-8-5-15-30-19)21(23(25)27)24-16-6-3-2-4-7-16/h2-12,15,24H,13-14H2,1H3
InChIKeyNOZXBDZFPUOCTF-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.03
Rot. Bonds8

About 3-anilino-1-[2-(4-methoxyphenoxy)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione

3-anilino-1-[2-(4-methoxyphenoxy)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110590889) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is 3-anilino-1-[2-(4-methoxyphenoxy)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-anilino-1-[2-(4-methoxyphenoxy)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110590889
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC Name3-anilino-1-[2-(4-methoxyphenoxy)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCOc1ccc(OCCN2C(=O)C(Nc3ccccc3)=C(c3cccs3)C2=O)cc1
InChIInChI=1S/C23H20N2O4S/c1-28-17-9-11-18(12-10-17)29-14-13-25-22(26)20(19-8-5-15-30-19)21(23(25)27)24-16-6-3-2-4-7-16/h2-12,15,24H,13-14H2,1H3
InChIKeyNOZXBDZFPUOCTF-UHFFFAOYSA-N
XLogP4.03
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyanilino)-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590808
3-chloro-1-[2-(4-methoxyphenoxy)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110583041
3-(3,5-dimethylanilino)-1-[2-(3,5-dimethylphenoxy)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591246
3-(2,5-dimethoxyanilino)-1-(2-methoxyethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590913
3-(3-ethoxyanilino)-1-[2-(4-methoxyphenyl)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590514
1-(3-methoxypropyl)-3-(3-propoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590948
3-(4-ethoxyanilino)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590870
3-anilino-4-(4-methoxyphenyl)-1-(3-methoxypropyl)pyrrole-2,5-dione
CID 110592965
1-(3,5-dimethoxyphenyl)-3-(4-ethoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590324
3-(3,5-dimethoxyanilino)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591112
3-(4-ethoxyanilino)-1-[(4-methylphenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590622
3-(4-ethoxyanilino)-1-(pyridin-4-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590755

Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-[2-(4-methoxyphenoxy)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-anilino-1-[2-(4-methoxyphenoxy)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione (CID 110590889) is 3-anilino-1-[2-(4-methoxyphenoxy)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-anilino-1-[2-(4-methoxyphenoxy)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-anilino-1-[2-(4-methoxyphenoxy)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione is COc1ccc(OCCN2C(=O)C(Nc3ccccc3)=C(c3cccs3)C2=O)cc1.
What is the InChIKey of 3-anilino-1-[2-(4-methoxyphenoxy)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is NOZXBDZFPUOCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-28-17-9-11-18(12-10-17)29-14-13-25-22(26)20(19-8-5-15-30-19)21(23(25)27)24-16-6-3-2-4-7-16/h2-12,15,24H,13-14H2,1H3.
What are the key properties of 3-anilino-1-[2-(4-methoxyphenoxy)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione?
3-anilino-1-[2-(4-methoxyphenoxy)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 420.49 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-[2-(4-methoxyphenoxy)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110590889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).