N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide

C26H29N3O3S — CID 43961325

About N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide

N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide (PubChem CID 43961325) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide
• PubChem CID: 43961325
• Molecular Formula: C26H29N3O3S
• Molecular Weight: 463.60 g/mol
• Exact Mass: 463.19
• IUPAC Name: N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide
• SMILES: CCN(CC)CCN(C(=O)COc1ccc2ccccc2c1)c1nc2ccc(OC)cc2s1
• InChI: InChI=1S/C26H29N3O3S/c1-4-28(5-2)14-15-29(26-27-23-13-12-21(31-3)17-24(23)33-26)25(30)18-32-22-11-10-19-8-6-7-9-20(19)16-22/h6-13,16-17H,4-5,14-15,18H2,1-3H3
• InChIKey: RZNAFKDBRKOKFD-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 54.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.60
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide?

The IUPAC name of N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide (CID 43961325) is N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide.

What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide?

The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide is CCN(CC)CCN(C(=O)COc1ccc2ccccc2c1)c1nc2ccc(OC)cc2s1.

What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide?

The InChIKey is RZNAFKDBRKOKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-4-28(5-2)14-15-29(26-27-23-13-12-21(31-3)17-24(23)33-26)25(30)18-32-22-11-10-19-8-6-7-9-20(19)16-22/h6-13,16-17H,4-5,14-15,18H2,1-3H3.

What are the key properties of N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide?

N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide has a molecular weight of 463.60 g/mol, XLogP of 5.21, 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-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 43961325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).