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

C22H27Cl2N3O2S2 — CID 44927690

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

2-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride (PubChem CID 44927690) has the molecular formula C22H27Cl2N3O2S2 and a molecular weight of 500.52 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride
• PubChem CID: 44927690
• Molecular Formula: C22H27Cl2N3O2S2
• Molecular Weight: 500.52 g/mol
• Exact Mass: 499.09
• IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride
• SMILES: CCN(CC)CCN(C(=O)CSc1ccc(Cl)cc1)c1nc2c(OC)cccc2s1.Cl
• InChI: InChI=1S/C22H26ClN3O2S2.ClH/c1-4-25(5-2)13-14-26(20(27)15-29-17-11-9-16(23)10-12-17)22-24-21-18(28-3)7-6-8-19(21)30-22;/h6-12H,4-5,13-15H2,1-3H3;1H
• InChIKey: GVCXEJQWQMGNHA-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 45.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.52
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride (CID 44927690) is 2-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride.

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

The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride is CCN(CC)CCN(C(=O)CSc1ccc(Cl)cc1)c1nc2c(OC)cccc2s1.Cl.

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

The InChIKey is GVCXEJQWQMGNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2S2.ClH/c1-4-25(5-2)13-14-26(20(27)15-29-17-11-9-16(23)10-12-17)22-24-21-18(28-3)7-6-8-19(21)30-22;/h6-12H,4-5,13-15H2,1-3H3;1H.

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

2-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride has a molecular weight of 500.52 g/mol, XLogP of 5.85, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 44927690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).