N-benzyl-2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide

C25H24N2O2S — CID 16848554

About N-benzyl-2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide

N-benzyl-2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 16848554) has the molecular formula C25H24N2O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is N-benzyl-2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
• PubChem CID: 16848554
• Molecular Formula: C25H24N2O2S
• Molecular Weight: 416.55 g/mol
• Exact Mass: 416.16
• IUPAC Name: N-benzyl-2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
• SMILES: COc1ccc(CC(=O)N(Cc2ccccc2)c2nc3c(C)cccc3s2)cc1C
• InChI: InChI=1S/C25H24N2O2S/c1-17-8-7-11-22-24(17)26-25(30-22)27(16-19-9-5-4-6-10-19)23(28)15-20-12-13-21(29-3)18(2)14-20/h4-14H,15-16H2,1-3H3
• InChIKey: ZWRCNFFJNJABRI-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 42.43 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.55
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?

The IUPAC name of N-benzyl-2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide (CID 16848554) is N-benzyl-2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide.

What is the SMILES notation for N-benzyl-2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?

The canonical SMILES for N-benzyl-2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide is COc1ccc(CC(=O)N(Cc2ccccc2)c2nc3c(C)cccc3s2)cc1C.

What is the InChIKey of N-benzyl-2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?

The InChIKey is ZWRCNFFJNJABRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2S/c1-17-8-7-11-22-24(17)26-25(30-22)27(16-19-9-5-4-6-10-19)23(28)15-20-12-13-21(29-3)18(2)14-20/h4-14H,15-16H2,1-3H3.

What are the key properties of N-benzyl-2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?

N-benzyl-2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 416.55 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 16848554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).