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

C18H20N2O3S — CID 2936612

IUPAC1-(4-propoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione
SMILESCCCOc1ccc(N2C(=O)CC(NCc3cccs3)C2=O)cc1
InChIInChI=1S/C18H20N2O3S/c1-2-9-23-14-7-5-13(6-8-14)20-17(21)11-16(18(20)22)19-12-15-4-3-10-24-15/h3-8,10,16,19H,2,9,11-12H2,1H3
InChIKeyYQBAKFDSZZSHKP-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.96
Rot. Bonds7

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

1-(4-propoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione (PubChem CID 2936612) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-(4-propoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-propoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione
PubChem CID2936612
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name1-(4-propoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione
SMILESCCCOc1ccc(N2C(=O)CC(NCc3cccs3)C2=O)cc1
InChIInChI=1S/C18H20N2O3S/c1-2-9-23-14-7-5-13(6-8-14)20-17(21)11-16(18(20)22)19-12-15-4-3-10-24-15/h3-8,10,16,19H,2,9,11-12H2,1H3
InChIKeyYQBAKFDSZZSHKP-UHFFFAOYSA-N
XLogP2.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.96
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-propoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-propoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione (CID 2936612) is 1-(4-propoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-propoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-propoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione is CCCOc1ccc(N2C(=O)CC(NCc3cccs3)C2=O)cc1.
What is the InChIKey of 1-(4-propoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is YQBAKFDSZZSHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-2-9-23-14-7-5-13(6-8-14)20-17(21)11-16(18(20)22)19-12-15-4-3-10-24-15/h3-8,10,16,19H,2,9,11-12H2,1H3.
What are the key properties of 1-(4-propoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione?
1-(4-propoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione has a molecular weight of 344.44 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propoxyphenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 2936612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).