2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide

C23H27Cl2N3O4S — CID 41346063

About 2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide

2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 41346063) has the molecular formula C23H27Cl2N3O4S and a molecular weight of 512.46 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide
• PubChem CID: 41346063
• Molecular Formula: C23H27Cl2N3O4S
• Molecular Weight: 512.46 g/mol
• Exact Mass: 511.11
• IUPAC Name: 2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide
• SMILES: CCN(CC)CCN(C(=O)COc1ccc(Cl)cc1Cl)c1nc2cc(OC)c(OC)cc2s1
• InChI: InChI=1S/C23H27Cl2N3O4S/c1-5-27(6-2)9-10-28(22(29)14-32-18-8-7-15(24)11-16(18)25)23-26-17-12-19(30-3)20(31-4)13-21(17)33-23/h7-8,11-13H,5-6,9-10,14H2,1-4H3
• InChIKey: SBTYQUKISKCLMB-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 64.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.46
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide?

The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide (CID 41346063) is 2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide.

What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide?

The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide is CCN(CC)CCN(C(=O)COc1ccc(Cl)cc1Cl)c1nc2cc(OC)c(OC)cc2s1.

What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide?

The InChIKey is SBTYQUKISKCLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N3O4S/c1-5-27(6-2)9-10-28(22(29)14-32-18-8-7-15(24)11-16(18)25)23-26-17-12-19(30-3)20(31-4)13-21(17)33-23/h7-8,11-13H,5-6,9-10,14H2,1-4H3.

What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide?

2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 512.46 g/mol, XLogP of 5.37, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 41346063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).