3-(4-ethoxyanilino)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione

C17H16N2O3S — CID 110590870

IUPAC3-(4-ethoxyanilino)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCCOc1ccc(NC2=C(c3cccs3)C(=O)N(C)C2=O)cc1
InChIInChI=1S/C17H16N2O3S/c1-3-22-12-8-6-11(7-9-12)18-15-14(13-5-4-10-23-13)16(20)19(2)17(15)21/h4-10,18H,3H2,1-2H3
InChIKeyZFULOJHFFVKTQD-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.97
Rot. Bonds5

About 3-(4-ethoxyanilino)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione

3-(4-ethoxyanilino)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110590870) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-(4-ethoxyanilino)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-ethoxyanilino)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110590870
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name3-(4-ethoxyanilino)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCCOc1ccc(NC2=C(c3cccs3)C(=O)N(C)C2=O)cc1
InChIInChI=1S/C17H16N2O3S/c1-3-22-12-8-6-11(7-9-12)18-15-14(13-5-4-10-23-13)16(20)19(2)17(15)21/h4-10,18H,3H2,1-2H3
InChIKeyZFULOJHFFVKTQD-UHFFFAOYSA-N
XLogP2.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.97
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-(4-ethoxyanilino)-1-[(4-methylphenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590622
1-(3,5-dimethoxyphenyl)-3-(4-ethoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590324
3-(4-ethoxyanilino)-1-(pyridin-4-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590755
4-[3-(4-ethoxyanilino)-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl]benzonitrile
CID 110592298
3-(4-ethoxyanilino)-1-naphthalen-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110592009
1-(4-butylphenyl)-3-(4-ethoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591681
1-(3-chloro-2-methylphenyl)-3-(4-ethoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591418
3-(3-ethoxyanilino)-1-(4-ethoxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591645
3-(4-ethoxyanilino)-1-(2-methoxy-5-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110592222
1-(3-chloro-4-fluorophenyl)-3-(4-ethoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591771
3-(4-methoxyanilino)-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590808
3-(4-chlorophenyl)-4-(4-ethoxyanilino)-1-methylpyrrole-2,5-dione
CID 110599313

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyanilino)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(4-ethoxyanilino)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione (CID 110590870) is 3-(4-ethoxyanilino)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-ethoxyanilino)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-ethoxyanilino)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione is CCOc1ccc(NC2=C(c3cccs3)C(=O)N(C)C2=O)cc1.
What is the InChIKey of 3-(4-ethoxyanilino)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is ZFULOJHFFVKTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-3-22-12-8-6-11(7-9-12)18-15-14(13-5-4-10-23-13)16(20)19(2)17(15)21/h4-10,18H,3H2,1-2H3.
What are the key properties of 3-(4-ethoxyanilino)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione?
3-(4-ethoxyanilino)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 328.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyanilino)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110590870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).