N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide

C25H24N2O3S — CID 16849731

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

N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 16849731) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide
• PubChem CID: 16849731
• Molecular Formula: C25H24N2O3S
• Molecular Weight: 432.55 g/mol
• Exact Mass: 432.15
• IUPAC Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide
• SMILES: COc1cccc2sc(N(CC3CCCO3)C(=O)Cc3ccc4ccccc4c3)nc12
• InChI: InChI=1S/C25H24N2O3S/c1-29-21-9-4-10-22-24(21)26-25(31-22)27(16-20-8-5-13-30-20)23(28)15-17-11-12-18-6-2-3-7-19(18)14-17/h2-4,6-7,9-12,14,20H,5,8,13,15-16H2,1H3
• InChIKey: WMUQRGKGDDCXQW-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 51.66 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.55
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide (CID 16849731) is N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide.

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

The canonical SMILES for N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide is COc1cccc2sc(N(CC3CCCO3)C(=O)Cc3ccc4ccccc4c3)nc12.

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

The InChIKey is WMUQRGKGDDCXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-29-21-9-4-10-22-24(21)26-25(31-22)27(16-20-8-5-13-30-20)23(28)15-17-11-12-18-6-2-3-7-19(18)14-17/h2-4,6-7,9-12,14,20H,5,8,13,15-16H2,1H3.

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

N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 432.55 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 16849731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).