N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide

C24H28N2O3S — CID 43990137

About N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 43990137) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide
• PubChem CID: 43990137
• Molecular Formula: C24H28N2O3S
• Molecular Weight: 424.57 g/mol
• Exact Mass: 424.18
• IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide
• SMILES: COc1ccc2nc(N(CC3CCCO3)C(=O)Cc3ccc(C(C)C)cc3)sc2c1
• InChI: InChI=1S/C24H28N2O3S/c1-16(2)18-8-6-17(7-9-18)13-23(27)26(15-20-5-4-12-29-20)24-25-21-11-10-19(28-3)14-22(21)30-24/h6-11,14,16,20H,4-5,12-13,15H2,1-3H3
• InChIKey: VIUOHSRRJPWCML-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 51.66 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.57
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide?

The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide (CID 43990137) is N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide.

What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide?

The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide is COc1ccc2nc(N(CC3CCCO3)C(=O)Cc3ccc(C(C)C)cc3)sc2c1.

What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide?

The InChIKey is VIUOHSRRJPWCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-16(2)18-8-6-17(7-9-18)13-23(27)26(15-20-5-4-12-29-20)24-25-21-11-10-19(28-3)14-22(21)30-24/h6-11,14,16,20H,4-5,12-13,15H2,1-3H3.

What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide?

N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 424.57 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 43990137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).