2-(3,4-dimethylphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)acetamide

C24H28N2O2S — CID 43989739

About 2-(3,4-dimethylphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(3,4-dimethylphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 43989739) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-(3,4-dimethylphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)acetamide
• PubChem CID: 43989739
• Molecular Formula: C24H28N2O2S
• Molecular Weight: 408.57 g/mol
• Exact Mass: 408.19
• IUPAC Name: 2-(3,4-dimethylphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)acetamide
• SMILES: CCc1ccc2nc(N(CC3CCCO3)C(=O)Cc3ccc(C)c(C)c3)sc2c1
• InChI: InChI=1S/C24H28N2O2S/c1-4-18-9-10-21-22(13-18)29-24(25-21)26(15-20-6-5-11-28-20)23(27)14-19-8-7-16(2)17(3)12-19/h7-10,12-13,20H,4-6,11,14-15H2,1-3H3
• InChIKey: UQPYTWUCYMDARO-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 42.43 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.57
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-(3,4-dimethylphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 43989739) is 2-(3,4-dimethylphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)acetamide.

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

The canonical SMILES for 2-(3,4-dimethylphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)acetamide is CCc1ccc2nc(N(CC3CCCO3)C(=O)Cc3ccc(C)c(C)c3)sc2c1.

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

The InChIKey is UQPYTWUCYMDARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2S/c1-4-18-9-10-21-22(13-18)29-24(25-21)26(15-20-6-5-11-28-20)23(27)14-19-8-7-16(2)17(3)12-19/h7-10,12-13,20H,4-6,11,14-15H2,1-3H3.

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

2-(3,4-dimethylphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 408.57 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethylphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 43989739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).