3-(4-methoxyanilino)-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione

C18H18N2O3S — CID 110590808

IUPAC3-(4-methoxyanilino)-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCCCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2cccs2)C1=O
InChIInChI=1S/C18H18N2O3S/c1-3-10-20-17(21)15(14-5-4-11-24-14)16(18(20)22)19-12-6-8-13(23-2)9-7-12/h4-9,11,19H,3,10H2,1-2H3
InChIKeyYEVZUJWHNCZGES-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.36
Rot. Bonds6

About 3-(4-methoxyanilino)-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione

3-(4-methoxyanilino)-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110590808) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-(4-methoxyanilino)-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-methoxyanilino)-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110590808
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name3-(4-methoxyanilino)-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCCCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2cccs2)C1=O
InChIInChI=1S/C18H18N2O3S/c1-3-10-20-17(21)15(14-5-4-11-24-14)16(18(20)22)19-12-6-8-13(23-2)9-7-12/h4-9,11,19H,3,10H2,1-2H3
InChIKeyYEVZUJWHNCZGES-UHFFFAOYSA-N
XLogP3.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-anilino-1-[2-(4-methoxyphenoxy)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590889
3-(3-ethoxyanilino)-1-[2-(4-methoxyphenyl)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590514
3-[4-(4-methylpiperidin-1-yl)anilino]-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590796
3-(2,5-dimethoxyanilino)-1-(2-methoxyethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590913
1-(3-butoxypropyl)-3-[4-(dimethylamino)anilino]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591147
3-(4-ethoxyanilino)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590870
1-(3-butoxypropyl)-3-[4-(diethylamino)anilino]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591146
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590638
3-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)-1-propylpyrrole-2,5-dione
CID 110596911
1-(3,5-dichlorophenyl)-3-(4-methoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591487
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

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyanilino)-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(4-methoxyanilino)-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione (CID 110590808) is 3-(4-methoxyanilino)-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-methoxyanilino)-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-methoxyanilino)-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione is CCCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2cccs2)C1=O.
What is the InChIKey of 3-(4-methoxyanilino)-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is YEVZUJWHNCZGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-3-10-20-17(21)15(14-5-4-11-24-14)16(18(20)22)19-12-6-8-13(23-2)9-7-12/h4-9,11,19H,3,10H2,1-2H3.
What are the key properties of 3-(4-methoxyanilino)-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione?
3-(4-methoxyanilino)-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 342.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyanilino)-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110590808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).