N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide

C21H24N2O3S — CID 56558264

About N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide

N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide (PubChem CID 56558264) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide.

Molecular Properties

• Compound Name: N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
• PubChem CID: 56558264
• Molecular Formula: C21H24N2O3S
• Molecular Weight: 384.50 g/mol
• Exact Mass: 384.15
• IUPAC Name: N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
• SMILES: CC(C)c1nc(CNC(=O)COc2ccc3oc4c(c3c2)CCCC4)cs1
• InChI: InChI=1S/C21H24N2O3S/c1-13(2)21-23-14(12-27-21)10-22-20(24)11-25-15-7-8-19-17(9-15)16-5-3-4-6-18(16)26-19/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,22,24)
• InChIKey: BGBSCGUBSZUAAS-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.50
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?

The IUPAC name of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide (CID 56558264) is N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide.

What is the SMILES notation for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?

The canonical SMILES for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide is CC(C)c1nc(CNC(=O)COc2ccc3oc4c(c3c2)CCCC4)cs1.

What is the InChIKey of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?

The InChIKey is BGBSCGUBSZUAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-13(2)21-23-14(12-27-21)10-22-20(24)11-25-15-7-8-19-17(9-15)16-5-3-4-6-18(16)26-19/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,22,24).

What are the key properties of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?

N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide has a molecular weight of 384.50 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide is sourced from PubChem (CID 56558264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).