N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)acetamide

C22H26FN3O3S — CID 43960657

About N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)acetamide

N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)acetamide (PubChem CID 43960657) has the molecular formula C22H26FN3O3S and a molecular weight of 431.53 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
• PubChem CID: 43960657
• Molecular Formula: C22H26FN3O3S
• Molecular Weight: 431.53 g/mol
• Exact Mass: 431.17
• IUPAC Name: N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
• SMILES: CCN(CC)CCN(C(=O)COc1ccccc1OC)c1nc2c(F)cccc2s1
• InChI: InChI=1S/C22H26FN3O3S/c1-4-25(5-2)13-14-26(22-24-21-16(23)9-8-12-19(21)30-22)20(27)15-29-18-11-7-6-10-17(18)28-3/h6-12H,4-5,13-15H2,1-3H3
• InChIKey: VVZZNCWFFKDJHZ-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 54.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.53
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)acetamide?

The IUPAC name of N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)acetamide (CID 43960657) is N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)acetamide.

What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)acetamide?

The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)acetamide is CCN(CC)CCN(C(=O)COc1ccccc1OC)c1nc2c(F)cccc2s1.

What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)acetamide?

The InChIKey is VVZZNCWFFKDJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3S/c1-4-25(5-2)13-14-26(22-24-21-16(23)9-8-12-19(21)30-22)20(27)15-29-18-11-7-6-10-17(18)28-3/h6-12H,4-5,13-15H2,1-3H3.

What are the key properties of N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)acetamide?

N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)acetamide has a molecular weight of 431.53 g/mol, XLogP of 4.20, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 43960657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).