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

C23H20N2O4S — CID 110554276

IUPAC1-(2,5-dimethoxyphenyl)-3-(N-methylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCOc1ccc(OC)c(N2C(=O)C(c3cccs3)=C(N(C)c3ccccc3)C2=O)c1
InChIInChI=1S/C23H20N2O4S/c1-24(15-8-5-4-6-9-15)21-20(19-10-7-13-30-19)22(26)25(23(21)27)17-14-16(28-2)11-12-18(17)29-3/h4-14H,1-3H3
InChIKeyYPTTWCXKPFSZBA-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.19
Rot. Bonds6

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

1-(2,5-dimethoxyphenyl)-3-(N-methylanilino)-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110554276) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-(N-methylanilino)-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-(N-methylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110554276
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC Name1-(2,5-dimethoxyphenyl)-3-(N-methylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCOc1ccc(OC)c(N2C(=O)C(c3cccs3)=C(N(C)c3ccccc3)C2=O)c1
InChIInChI=1S/C23H20N2O4S/c1-24(15-8-5-4-6-9-15)21-20(19-10-7-13-30-19)22(26)25(23(21)27)17-14-16(28-2)11-12-18(17)29-3/h4-14H,1-3H3
InChIKeyYPTTWCXKPFSZBA-UHFFFAOYSA-N
XLogP4.19
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554271
3-(3,5-dimethoxyanilino)-1-(2,5-dimethoxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591598
1-(2,5-dimethoxyphenyl)-3-(3-methoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591599
1-(3-chlorophenyl)-3-(N-methylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554624
1-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591602
3-[benzyl(ethyl)amino]-1-(2-methoxy-5-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555175
1-(2,5-dimethoxyphenyl)-3-(2,5-dimethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591613
1-(5-chloro-2-methoxyphenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574357
propyl 4-[3-(N-methylanilino)-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl]benzoate
CID 110554464
1-butyl-3-(N-methylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552896
3-(4-ethoxyanilino)-1-(2-methoxy-5-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110592222
3-benzylsulfanyl-1-(2-methoxy-5-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555191

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-(N-methylanilino)-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-(N-methylanilino)-4-thiophen-2-ylpyrrole-2,5-dione (CID 110554276) is 1-(2,5-dimethoxyphenyl)-3-(N-methylanilino)-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-(N-methylanilino)-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-(N-methylanilino)-4-thiophen-2-ylpyrrole-2,5-dione is COc1ccc(OC)c(N2C(=O)C(c3cccs3)=C(N(C)c3ccccc3)C2=O)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-(N-methylanilino)-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is YPTTWCXKPFSZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-24(15-8-5-4-6-9-15)21-20(19-10-7-13-30-19)22(26)25(23(21)27)17-14-16(28-2)11-12-18(17)29-3/h4-14H,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-(N-methylanilino)-4-thiophen-2-ylpyrrole-2,5-dione?
1-(2,5-dimethoxyphenyl)-3-(N-methylanilino)-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 420.49 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-(N-methylanilino)-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110554276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).