2-(4-chlorophenyl)sulfanyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide

C24H28ClN3O2S2 — CID 29072210

About 2-(4-chlorophenyl)sulfanyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 29072210) has the molecular formula C24H28ClN3O2S2 and a molecular weight of 490.09 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)sulfanyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
• PubChem CID: 29072210
• Molecular Formula: C24H28ClN3O2S2
• Molecular Weight: 490.09 g/mol
• Exact Mass: 489.13
• IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
• SMILES: Cc1cc(C)c2sc(N(CCCN3CCOCC3)C(=O)CSc3ccc(Cl)cc3)nc2c1
• InChI: InChI=1S/C24H28ClN3O2S2/c1-17-14-18(2)23-21(15-17)26-24(32-23)28(9-3-8-27-10-12-30-13-11-27)22(29)16-31-20-6-4-19(25)5-7-20/h4-7,14-15H,3,8-13,16H2,1-2H3
• InChIKey: ZURXWHQZXUWUCK-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 45.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.09
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide?

The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide (CID 29072210) is 2-(4-chlorophenyl)sulfanyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide.

What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide?

The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide is Cc1cc(C)c2sc(N(CCCN3CCOCC3)C(=O)CSc3ccc(Cl)cc3)nc2c1.

What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide?

The InChIKey is ZURXWHQZXUWUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2S2/c1-17-14-18(2)23-21(15-17)26-24(32-23)28(9-3-8-27-10-12-30-13-11-27)22(29)16-31-20-6-4-19(25)5-7-20/h4-7,14-15H,3,8-13,16H2,1-2H3.

What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide?

2-(4-chlorophenyl)sulfanyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 490.09 g/mol, XLogP of 5.41, 8 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-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 29072210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).