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

C19H18N2O4S — CID 110591112

IUPAC3-(3,5-dimethoxyanilino)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(Nc2cc(OC)cc(OC)c2)=C(c2cccs2)C1=O
InChIInChI=1S/C19H18N2O4S/c1-4-7-21-18(22)16(15-6-5-8-26-15)17(19(21)23)20-12-9-13(24-2)11-14(10-12)25-3/h4-6,8-11,20H,1,7H2,2-3H3
InChIKeyWHBDBZMCCWYGLA-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.14
Rot. Bonds7

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

3-(3,5-dimethoxyanilino)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110591112) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-(3,5-dimethoxyanilino)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,5-dimethoxyanilino)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110591112
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name3-(3,5-dimethoxyanilino)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(Nc2cc(OC)cc(OC)c2)=C(c2cccs2)C1=O
InChIInChI=1S/C19H18N2O4S/c1-4-7-21-18(22)16(15-6-5-8-26-15)17(19(21)23)20-12-9-13(24-2)11-14(10-12)25-3/h4-6,8-11,20H,1,7H2,2-3H3
InChIKeyWHBDBZMCCWYGLA-UHFFFAOYSA-N
XLogP3.14
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enyl-3-thiophen-2-yl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110591110
1-prop-2-enyl-3-thiophen-2-yl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110591128
3-(3,5-dimethoxyanilino)-1-phenyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591778
3-(4-methoxyanilino)-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590808
3-(3,5-dimethoxyanilino)-4-[4-(2-methylpropoxy)phenyl]-1-prop-2-enylpyrrole-2,5-dione
CID 110590180
3-(3,5-dimethoxyanilino)-1-(2,5-dimethoxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591598
3-(3-methoxyanilino)-1-(pyridin-4-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590735
3-(3,5-dimethoxyanilino)-1-(3-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591306
1-[(3,4-dimethoxyphenyl)methyl]-3-(3-methoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591258
3-anilino-1-[2-(4-methoxyphenoxy)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590889
1-(3-chloro-4-methylphenyl)-3-(3,5-dimethoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110592144
3-(2,5-dimethoxyanilino)-1-(2-methoxyethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590913

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyanilino)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(3,5-dimethoxyanilino)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione (CID 110591112) is 3-(3,5-dimethoxyanilino)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(3,5-dimethoxyanilino)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(3,5-dimethoxyanilino)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione is C=CCN1C(=O)C(Nc2cc(OC)cc(OC)c2)=C(c2cccs2)C1=O.
What is the InChIKey of 3-(3,5-dimethoxyanilino)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is WHBDBZMCCWYGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-4-7-21-18(22)16(15-6-5-8-26-15)17(19(21)23)20-12-9-13(24-2)11-14(10-12)25-3/h4-6,8-11,20H,1,7H2,2-3H3.
What are the key properties of 3-(3,5-dimethoxyanilino)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione?
3-(3,5-dimethoxyanilino)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 370.43 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyanilino)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110591112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).