1-(2-morpholin-4-ylethyl)-3-(3-propoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione

C23H27N3O4S — CID 110591193

IUPAC1-(2-morpholin-4-ylethyl)-3-(3-propoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCCCOc1cccc(NC2=C(c3cccs3)C(=O)N(CCN3CCOCC3)C2=O)c1
InChIInChI=1S/C23H27N3O4S/c1-2-12-30-18-6-3-5-17(16-18)24-21-20(19-7-4-15-31-19)22(27)26(23(21)28)9-8-25-10-13-29-14-11-25/h3-7,15-16,24H,2,8-14H2,1H3
InChIKeySKMQWXLAPARLEN-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.06
Rot. Bonds9

About 1-(2-morpholin-4-ylethyl)-3-(3-propoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione

1-(2-morpholin-4-ylethyl)-3-(3-propoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110591193) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-3-(3-propoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-3-(3-propoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110591193
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name1-(2-morpholin-4-ylethyl)-3-(3-propoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCCCOc1cccc(NC2=C(c3cccs3)C(=O)N(CCN3CCOCC3)C2=O)c1
InChIInChI=1S/C23H27N3O4S/c1-2-12-30-18-6-3-5-17(16-18)24-21-20(19-7-4-15-31-19)22(27)26(23(21)28)9-8-25-10-13-29-14-11-25/h3-7,15-16,24H,2,8-14H2,1H3
InChIKeySKMQWXLAPARLEN-UHFFFAOYSA-N
XLogP3.06
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.06
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

3-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110586578
1-(3-methoxypropyl)-3-(3-propoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590948
3-(2-ethoxyanilino)-1-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591230
1-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591199
1-(3-methylphenyl)-3-(3-propoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591887
1-(2,3-dimethylphenyl)-3-(3-propoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591711
3-(3-ethoxyanilino)-1-[2-(4-methoxyphenyl)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590514
3-(3-ethoxyanilino)-1-(2-propoxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110592055
1-(3-chloro-4-methoxyphenyl)-3-(3-propoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591445
3-(3,5-dimethylanilino)-1-[2-(3,5-dimethylphenoxy)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591246
3-anilino-1-[2-(4-methoxyphenoxy)ethyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590889
3-(3-ethoxyanilino)-1-(4-ethoxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591645

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-3-(3-propoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-3-(3-propoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione (CID 110591193) is 1-(2-morpholin-4-ylethyl)-3-(3-propoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-3-(3-propoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-3-(3-propoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione is CCCOc1cccc(NC2=C(c3cccs3)C(=O)N(CCN3CCOCC3)C2=O)c1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-3-(3-propoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is SKMQWXLAPARLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-2-12-30-18-6-3-5-17(16-18)24-21-20(19-7-4-15-31-19)22(27)26(23(21)28)9-8-25-10-13-29-14-11-25/h3-7,15-16,24H,2,8-14H2,1H3.
What are the key properties of 1-(2-morpholin-4-ylethyl)-3-(3-propoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione?
1-(2-morpholin-4-ylethyl)-3-(3-propoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 441.55 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-3-(3-propoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110591193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).