1-(4-methoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione

C16H16N2O3S — CID 661792

IUPAC1-(4-methoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(NCc3cccs3)C2=O)cc1
InChIInChI=1S/C16H16N2O3S/c1-21-12-6-4-11(5-7-12)18-15(19)9-14(16(18)20)17-10-13-3-2-8-22-13/h2-8,14,17H,9-10H2,1H3
InChIKeyDMHJRRXEDGRYAG-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.18
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione

1-(4-methoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione (PubChem CID 661792) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione
PubChem CID661792
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name1-(4-methoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(NCc3cccs3)C2=O)cc1
InChIInChI=1S/C16H16N2O3S/c1-21-12-6-4-11(5-7-12)18-15(19)9-14(16(18)20)17-10-13-3-2-8-22-13/h2-8,14,17H,9-10H2,1H3
InChIKeyDMHJRRXEDGRYAG-UHFFFAOYSA-N
XLogP2.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-methoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione (CID 661792) is 1-(4-methoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione is COc1ccc(N2C(=O)CC(NCc3cccs3)C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is DMHJRRXEDGRYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-21-12-6-4-11(5-7-12)18-15(19)9-14(16(18)20)17-10-13-3-2-8-22-13/h2-8,14,17H,9-10H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione?
1-(4-methoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione has a molecular weight of 316.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 661792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).