2-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride

C21H26ClN3O3S2 — CID 18577306

About 2-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride

2-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride (PubChem CID 18577306) has the molecular formula C21H26ClN3O3S2 and a molecular weight of 468.04 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride
• PubChem CID: 18577306
• Molecular Formula: C21H26ClN3O3S2
• Molecular Weight: 468.04 g/mol
• Exact Mass: 467.11
• IUPAC Name: 2-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride
• SMILES: Cc1cc(C)c2sc(N(CCN(C)C)C(=O)CS(=O)(=O)c3ccccc3)nc2c1.Cl
• InChI: InChI=1S/C21H25N3O3S2.ClH/c1-15-12-16(2)20-18(13-15)22-21(28-20)24(11-10-23(3)4)19(25)14-29(26,27)17-8-6-5-7-9-17;/h5-9,12-13H,10-11,14H2,1-4H3;1H
• InChIKey: FJUQKUAESDGYFW-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 70.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.04
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride?

The IUPAC name of 2-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride (CID 18577306) is 2-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride.

What is the SMILES notation for 2-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride?

The canonical SMILES for 2-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride is Cc1cc(C)c2sc(N(CCN(C)C)C(=O)CS(=O)(=O)c3ccccc3)nc2c1.Cl.

What is the InChIKey of 2-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride?

The InChIKey is FJUQKUAESDGYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S2.ClH/c1-15-12-16(2)20-18(13-15)22-21(28-20)24(11-10-23(3)4)19(25)14-29(26,27)17-8-6-5-7-9-17;/h5-9,12-13H,10-11,14H2,1-4H3;1H.

What are the key properties of 2-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride?

2-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride has a molecular weight of 468.04 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 18577306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).