2-(dimethylamino)-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]-2-(2-fluorophenyl)acetamide

C22H23FN4O4S — CID 155328188

About 2-(dimethylamino)-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]-2-(2-fluorophenyl)acetamide

2-(dimethylamino)-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]-2-(2-fluorophenyl)acetamide (PubChem CID 155328188) has the molecular formula C22H23FN4O4S and a molecular weight of 458.52 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-(dimethylamino)-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]-2-(2-fluorophenyl)acetamide
• PubChem CID: 155328188
• Molecular Formula: C22H23FN4O4S
• Molecular Weight: 458.52 g/mol
• Exact Mass: 458.14
• IUPAC Name: 2-(dimethylamino)-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]-2-(2-fluorophenyl)acetamide
• SMILES: CN(C)C(C(=O)NCc1scc2c1CN(C1CCC(=O)NC1=O)C2=O)c1ccccc1F
• InChI: InChI=1S/C22H23FN4O4S/c1-26(2)19(12-5-3-4-6-15(12)23)21(30)24-9-17-13-10-27(22(31)14(13)11-32-17)16-7-8-18(28)25-20(16)29/h3-6,11,16,19H,7-10H2,1-2H3,(H,24,30)(H,25,28,29)
• InChIKey: NRNBURBKTFETBC-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.52
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]-2-(2-fluorophenyl)acetamide?

The IUPAC name of 2-(dimethylamino)-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]-2-(2-fluorophenyl)acetamide (CID 155328188) is 2-(dimethylamino)-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]-2-(2-fluorophenyl)acetamide.

What is the SMILES notation for 2-(dimethylamino)-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]-2-(2-fluorophenyl)acetamide?

The canonical SMILES for 2-(dimethylamino)-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]-2-(2-fluorophenyl)acetamide is CN(C)C(C(=O)NCc1scc2c1CN(C1CCC(=O)NC1=O)C2=O)c1ccccc1F.

What is the InChIKey of 2-(dimethylamino)-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]-2-(2-fluorophenyl)acetamide?

The InChIKey is NRNBURBKTFETBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O4S/c1-26(2)19(12-5-3-4-6-15(12)23)21(30)24-9-17-13-10-27(22(31)14(13)11-32-17)16-7-8-18(28)25-20(16)29/h3-6,11,16,19H,7-10H2,1-2H3,(H,24,30)(H,25,28,29).

What are the key properties of 2-(dimethylamino)-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]-2-(2-fluorophenyl)acetamide?

2-(dimethylamino)-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 458.52 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 155328188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).