1-(2,5-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]-4-thiophen-2-ylpyrrole-2,5-dione

C19H20N2O5S — CID 110554271

IUPAC1-(2,5-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCOc1ccc(OC)c(N2C(=O)C(c3cccs3)=C(N(C)CCO)C2=O)c1
InChIInChI=1S/C19H20N2O5S/c1-20(8-9-22)17-16(15-5-4-10-27-15)18(23)21(19(17)24)13-11-12(25-2)6-7-14(13)26-3/h4-7,10-11,22H,8-9H2,1-3H3
InChIKeyPCZHSZKDUFUFCN-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.97
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]-4-thiophen-2-ylpyrrole-2,5-dione

1-(2,5-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110554271) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110554271
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name1-(2,5-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCOc1ccc(OC)c(N2C(=O)C(c3cccs3)=C(N(C)CCO)C2=O)c1
InChIInChI=1S/C19H20N2O5S/c1-20(8-9-22)17-16(15-5-4-10-27-15)18(23)21(19(17)24)13-11-12(25-2)6-7-14(13)26-3/h4-7,10-11,22H,8-9H2,1-3H3
InChIKeyPCZHSZKDUFUFCN-UHFFFAOYSA-N
XLogP1.97
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethoxyphenyl)-3-(N-methylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554276
1-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110547467
1-(3,4-diethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555155
3-(3,5-dimethoxyanilino)-1-(2,5-dimethoxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591598
3-[2-hydroxyethyl(methyl)amino]-4-thiophen-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110551974
1-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110547738
1-(2,5-dimethoxyphenyl)-3-(3-methoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591599
1-[4-(diethylamino)phenyl]-3-[2-hydroxyethyl(methyl)amino]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552260
3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110547860
1-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591602
1-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110579966
1-(2,5-dimethoxyphenyl)-3-(2,5-dimethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591613

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]-4-thiophen-2-ylpyrrole-2,5-dione (CID 110554271) is 1-(2,5-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]-4-thiophen-2-ylpyrrole-2,5-dione is COc1ccc(OC)c(N2C(=O)C(c3cccs3)=C(N(C)CCO)C2=O)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is PCZHSZKDUFUFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-20(8-9-22)17-16(15-5-4-10-27-15)18(23)21(19(17)24)13-11-12(25-2)6-7-14(13)26-3/h4-7,10-11,22H,8-9H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]-4-thiophen-2-ylpyrrole-2,5-dione?
1-(2,5-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 388.45 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110554271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).