N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide

C24H28N2O2S — CID 43989745

About N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide

N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 43989745) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
• PubChem CID: 43989745
• Molecular Formula: C24H28N2O2S
• Molecular Weight: 408.57 g/mol
• Exact Mass: 408.19
• IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
• SMILES: Cc1ccc(CC(=O)N(CC2CCCO2)c2nc3c(C)ccc(C)c3s2)cc1C
• InChI: InChI=1S/C24H28N2O2S/c1-15-9-10-19(12-18(15)4)13-21(27)26(14-20-6-5-11-28-20)24-25-22-16(2)7-8-17(3)23(22)29-24/h7-10,12,20H,5-6,11,13-14H2,1-4H3
• InChIKey: NHRFHRPVAARUAR-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 42.43 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.57
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide?

The IUPAC name of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide (CID 43989745) is N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide.

What is the SMILES notation for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide?

The canonical SMILES for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide is Cc1ccc(CC(=O)N(CC2CCCO2)c2nc3c(C)ccc(C)c3s2)cc1C.

What is the InChIKey of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide?

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

What are the key properties of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide?

N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 408.57 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 43989745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).