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

C20H19FN2O3S — CID 110553853

IUPAC3-(2,6-dimethylmorpholin-4-yl)-1-(3-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCC1CN(C2=C(c3cccs3)C(=O)N(c3cccc(F)c3)C2=O)CC(C)O1
InChIInChI=1S/C20H19FN2O3S/c1-12-10-22(11-13(2)26-12)18-17(16-7-4-8-27-16)19(24)23(20(18)25)15-6-3-5-14(21)9-15/h3-9,12-13H,10-11H2,1-2H3
InChIKeyVWLSYOFJVFQFCI-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.28
Rot. Bonds3

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

3-(2,6-dimethylmorpholin-4-yl)-1-(3-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110553853) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-1-(3-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-1-(3-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110553853
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-1-(3-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCC1CN(C2=C(c3cccs3)C(=O)N(c3cccc(F)c3)C2=O)CC(C)O1
InChIInChI=1S/C20H19FN2O3S/c1-12-10-22(11-13(2)26-12)18-17(16-7-4-8-27-16)19(24)23(20(18)25)15-6-3-5-14(21)9-15/h3-9,12-13H,10-11H2,1-2H3
InChIKeyVWLSYOFJVFQFCI-UHFFFAOYSA-N
XLogP3.28
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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)-4-(4-ethoxyphenyl)-1-(3-fluorophenyl)pyrrole-2,5-dione
CID 110547241
3-(2,6-dimethylmorpholin-4-yl)-1-propan-2-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553814
1-(3,4-difluorophenyl)-3-(3-methylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555388
1-(3-methylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554697
1-(3-methylphenyl)-3-morpholin-4-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554691
3-(2,6-dimethylmorpholin-4-yl)-1,4-bis(4-fluorophenyl)pyrrole-2,5-dione
CID 110544643
3-(4-methylpiperidin-1-yl)-4-thiophen-2-yl-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110551945
1-(3,4-difluorophenyl)-3-(4-methylpiperazin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555395
1-(3-methoxyphenyl)-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552038
1-(3-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110560400
1-(3-chloro-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554500

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-1-(3-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-1-(3-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione (CID 110553853) is 3-(2,6-dimethylmorpholin-4-yl)-1-(3-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-1-(3-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-1-(3-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione is CC1CN(C2=C(c3cccs3)C(=O)N(c3cccc(F)c3)C2=O)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-1-(3-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is VWLSYOFJVFQFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-12-10-22(11-13(2)26-12)18-17(16-7-4-8-27-16)19(24)23(20(18)25)15-6-3-5-14(21)9-15/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-1-(3-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione?
3-(2,6-dimethylmorpholin-4-yl)-1-(3-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 386.45 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-1-(3-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110553853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).