N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide

C24H29N3O4S2 — CID 29138327

About N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 29138327) has the molecular formula C24H29N3O4S2 and a molecular weight of 487.65 g/mol. Its IUPAC name is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

• Compound Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide
• PubChem CID: 29138327
• Molecular Formula: C24H29N3O4S2
• Molecular Weight: 487.65 g/mol
• Exact Mass: 487.16
• IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide
• SMILES: Cc1ccc(S(=O)(=O)CC(=O)N(CCN2CCOCC2)c2nc3cc(C)cc(C)c3s2)cc1
• InChI: InChI=1S/C24H29N3O4S2/c1-17-4-6-20(7-5-17)33(29,30)16-22(28)27(9-8-26-10-12-31-13-11-26)24-25-21-15-18(2)14-19(3)23(21)32-24/h4-7,14-15H,8-13,16H2,1-3H3
• InChIKey: ULVGPUCKNHZLKK-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 79.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.65
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide?

The IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide (CID 29138327) is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide.

What is the SMILES notation for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide?

The canonical SMILES for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide is Cc1ccc(S(=O)(=O)CC(=O)N(CCN2CCOCC2)c2nc3cc(C)cc(C)c3s2)cc1.

What is the InChIKey of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide?

The InChIKey is ULVGPUCKNHZLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S2/c1-17-4-6-20(7-5-17)33(29,30)16-22(28)27(9-8-26-10-12-31-13-11-26)24-25-21-15-18(2)14-19(3)23(21)32-24/h4-7,14-15H,8-13,16H2,1-3H3.

What are the key properties of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide?

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 487.65 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 29138327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).