N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide

C23H19ClN2O2S — CID 2538484

About N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide

N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide (PubChem CID 2538484) has the molecular formula C23H19ClN2O2S and a molecular weight of 422.94 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
• PubChem CID: 2538484
• Molecular Formula: C23H19ClN2O2S
• Molecular Weight: 422.94 g/mol
• Exact Mass: 422.09
• IUPAC Name: N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
• SMILES: Cc1sc(NC(=O)Cc2coc3cc4c(cc23)CCC4)nc1-c1ccc(Cl)cc1
• InChI: InChI=1S/C23H19ClN2O2S/c1-13-22(14-5-7-18(24)8-6-14)26-23(29-13)25-21(27)11-17-12-28-20-10-16-4-2-3-15(16)9-19(17)20/h5-10,12H,2-4,11H2,1H3,(H,25,26,27)
• InChIKey: IGLBDKQNKOORHQ-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.94
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?

The IUPAC name of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide (CID 2538484) is N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide.

What is the SMILES notation for N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?

The canonical SMILES for N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide is Cc1sc(NC(=O)Cc2coc3cc4c(cc23)CCC4)nc1-c1ccc(Cl)cc1.

What is the InChIKey of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?

The InChIKey is IGLBDKQNKOORHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2S/c1-13-22(14-5-7-18(24)8-6-14)26-23(29-13)25-21(27)11-17-12-28-20-10-16-4-2-3-15(16)9-19(17)20/h5-10,12H,2-4,11H2,1H3,(H,25,26,27).

What are the key properties of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?

N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide has a molecular weight of 422.94 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide is sourced from PubChem (CID 2538484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).