3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione

C19H20N2O4S — CID 110552646

IUPAC3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCC1CN(C2=C(c3cccs3)C(=O)N(Cc3ccco3)C2=O)CC(C)O1
InChIInChI=1S/C19H20N2O4S/c1-12-9-20(10-13(2)25-12)17-16(15-6-4-8-26-15)18(22)21(19(17)23)11-14-5-3-7-24-14/h3-8,12-13H,9-11H2,1-2H3
InChIKeySVVIFVYYNOWHGO-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.73
Rot. Bonds4

About 3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione

3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110552646) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110552646
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCC1CN(C2=C(c3cccs3)C(=O)N(Cc3ccco3)C2=O)CC(C)O1
InChIInChI=1S/C19H20N2O4S/c1-12-9-20(10-13(2)25-12)17-16(15-6-4-8-26-15)18(22)21(19(17)23)11-14-5-3-7-24-14/h3-8,12-13H,9-11H2,1-2H3
InChIKeySVVIFVYYNOWHGO-UHFFFAOYSA-N
XLogP2.73
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.73
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-(furan-2-ylmethyl)-3-(4-methylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552639
3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572130
3-(2,6-dimethylmorpholin-4-yl)-1-propan-2-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553814
3-(3,5-dimethylpiperidin-1-yl)-1-(pyridin-4-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552756
3-(2,6-dimethylmorpholin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552227
3-(2,6-dimethylmorpholin-4-yl)-1-(3-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553853
3-(3,5-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552447
1-(furan-2-ylmethyl)-3-(4-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110559098
3-[benzyl(ethyl)amino]-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552658
3-(3,5-dimethylpiperidin-1-yl)-1-(furan-2-ylmethyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541081
1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552572
1-[(2-chlorophenyl)methyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110558966

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione (CID 110552646) is 3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione is CC1CN(C2=C(c3cccs3)C(=O)N(Cc3ccco3)C2=O)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is SVVIFVYYNOWHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-12-9-20(10-13(2)25-12)17-16(15-6-4-8-26-15)18(22)21(19(17)23)11-14-5-3-7-24-14/h3-8,12-13H,9-11H2,1-2H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione?
3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 372.45 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110552646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).