N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-[2-(oxan-2-yloxy)ethyl]acetamide

C24H28N2O4S — CID 18932241

About N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-[2-(oxan-2-yloxy)ethyl]acetamide

N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-[2-(oxan-2-yloxy)ethyl]acetamide (PubChem CID 18932241) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-[2-(oxan-2-yloxy)ethyl]acetamide.

Molecular Properties

• Compound Name: N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-[2-(oxan-2-yloxy)ethyl]acetamide
• PubChem CID: 18932241
• Molecular Formula: C24H28N2O4S
• Molecular Weight: 440.57 g/mol
• Exact Mass: 440.18
• IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-[2-(oxan-2-yloxy)ethyl]acetamide
• SMILES: CC(=O)N(CCOC1CCCCO1)c1ccc(OCc2nc3ccccc3s2)cc1C
• InChI: InChI=1S/C24H28N2O4S/c1-17-15-19(30-16-23-25-20-7-3-4-8-22(20)31-23)10-11-21(17)26(18(2)27)12-14-29-24-9-5-6-13-28-24/h3-4,7-8,10-11,15,24H,5-6,9,12-14,16H2,1-2H3
• InChIKey: YLMYQKKEOLZDID-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 60.89 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.57
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-[2-(oxan-2-yloxy)ethyl]acetamide?

The IUPAC name of N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-[2-(oxan-2-yloxy)ethyl]acetamide (CID 18932241) is N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-[2-(oxan-2-yloxy)ethyl]acetamide.

What is the SMILES notation for N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-[2-(oxan-2-yloxy)ethyl]acetamide?

The canonical SMILES for N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-[2-(oxan-2-yloxy)ethyl]acetamide is CC(=O)N(CCOC1CCCCO1)c1ccc(OCc2nc3ccccc3s2)cc1C.

What is the InChIKey of N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-[2-(oxan-2-yloxy)ethyl]acetamide?

The InChIKey is YLMYQKKEOLZDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-17-15-19(30-16-23-25-20-7-3-4-8-22(20)31-23)10-11-21(17)26(18(2)27)12-14-29-24-9-5-6-13-28-24/h3-4,7-8,10-11,15,24H,5-6,9,12-14,16H2,1-2H3.

What are the key properties of N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-[2-(oxan-2-yloxy)ethyl]acetamide?

N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-[2-(oxan-2-yloxy)ethyl]acetamide has a molecular weight of 440.57 g/mol, XLogP of 5.08, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-[2-(oxan-2-yloxy)ethyl]acetamide is sourced from PubChem (CID 18932241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).