1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione

C20H20N2O3S — CID 42895784

IUPAC1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1ccc(C(=O)N2CCCC2c2cccs2)cc1
InChIInChI=1S/C20H20N2O3S/c23-18-9-10-19(24)22(18)13-14-5-7-15(8-6-14)20(25)21-11-1-3-16(21)17-4-2-12-26-17/h2,4-8,12,16H,1,3,9-11,13H2
InChIKeyGXXRRYSLNINAON-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.37
Rot. Bonds4

About 1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione

1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione (PubChem CID 42895784) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
PubChem CID42895784
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1ccc(C(=O)N2CCCC2c2cccs2)cc1
InChIInChI=1S/C20H20N2O3S/c23-18-9-10-19(24)22(18)13-14-5-7-15(8-6-14)20(25)21-11-1-3-16(21)17-4-2-12-26-17/h2,4-8,12,16H,1,3,9-11,13H2
InChIKeyGXXRRYSLNINAON-UHFFFAOYSA-N
XLogP3.37
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
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-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione (CID 42895784) is 1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1Cc1ccc(C(=O)N2CCCC2c2cccs2)cc1.
What is the InChIKey of 1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is GXXRRYSLNINAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c23-18-9-10-19(24)22(18)13-14-5-7-15(8-6-14)20(25)21-11-1-3-16(21)17-4-2-12-26-17/h2,4-8,12,16H,1,3,9-11,13H2.
What are the key properties of 1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione?
1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 368.46 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 42895784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).