2-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide

C23H28ClN3OS2 — CID 43962689

About 2-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide

2-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 43962689) has the molecular formula C23H28ClN3OS2 and a molecular weight of 462.08 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
• PubChem CID: 43962689
• Molecular Formula: C23H28ClN3OS2
• Molecular Weight: 462.08 g/mol
• Exact Mass: 461.14
• IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
• SMILES: CCc1ccc2nc(N(CCN(CC)CC)C(=O)CSc3ccc(Cl)cc3)sc2c1
• InChI: InChI=1S/C23H28ClN3OS2/c1-4-17-7-12-20-21(15-17)30-23(25-20)27(14-13-26(5-2)6-3)22(28)16-29-19-10-8-18(24)9-11-19/h7-12,15H,4-6,13-14,16H2,1-3H3
• InChIKey: NSAIAMSSWUOZKX-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 36.44 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.08
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide (CID 43962689) is 2-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide.

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

The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide is CCc1ccc2nc(N(CCN(CC)CC)C(=O)CSc3ccc(Cl)cc3)sc2c1.

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

The InChIKey is NSAIAMSSWUOZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3OS2/c1-4-17-7-12-20-21(15-17)30-23(25-20)27(14-13-26(5-2)6-3)22(28)16-29-19-10-8-18(24)9-11-19/h7-12,15H,4-6,13-14,16H2,1-3H3.

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

2-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 462.08 g/mol, XLogP of 5.98, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 43962689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).