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

C15H13ClN2O2S — CID 2882225

IUPAC1-(4-chlorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCc2cccs2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O2S/c16-10-3-5-11(6-4-10)18-14(19)8-13(15(18)20)17-9-12-2-1-7-21-12/h1-7,13,17H,8-9H2
InChIKeyCADMAGPVTOMJLW-UHFFFAOYSA-N
MW320.80 g/mol
LogP2.82
Rot. Bonds4

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

1-(4-chlorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione (PubChem CID 2882225) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione
PubChem CID2882225
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name1-(4-chlorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCc2cccs2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O2S/c16-10-3-5-11(6-4-10)18-14(19)8-13(15(18)20)17-9-12-2-1-7-21-12/h1-7,13,17H,8-9H2
InChIKeyCADMAGPVTOMJLW-UHFFFAOYSA-N
XLogP2.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-chlorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-chlorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione (CID 2882225) is 1-(4-chlorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-chlorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione is O=C1CC(NCc2cccs2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is CADMAGPVTOMJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c16-10-3-5-11(6-4-10)18-14(19)8-13(15(18)20)17-9-12-2-1-7-21-12/h1-7,13,17H,8-9H2.
What are the key properties of 1-(4-chlorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione?
1-(4-chlorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione has a molecular weight of 320.80 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 2882225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).