2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide

C20H24N4O4S2 — CID 30969513

About 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide

2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 30969513) has the molecular formula C20H24N4O4S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
• PubChem CID: 30969513
• Molecular Formula: C20H24N4O4S2
• Molecular Weight: 448.57 g/mol
• Exact Mass: 448.12
• IUPAC Name: 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
• SMILES: CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2nc3c(C)ccc(C)c3s2)c1
• InChI: InChI=1S/C20H24N4O4S2/c1-5-24(6-2)30(27,28)15-9-10-17(26)23(11-15)12-16(25)21-20-22-18-13(3)7-8-14(4)19(18)29-20/h7-11H,5-6,12H2,1-4H3,(H,21,22,25)
• InChIKey: CSNLQLVDCSCKAE-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 101.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.57
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide?

The IUPAC name of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide (CID 30969513) is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide.

What is the SMILES notation for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide?

The canonical SMILES for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2nc3c(C)ccc(C)c3s2)c1.

What is the InChIKey of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide?

The InChIKey is CSNLQLVDCSCKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S2/c1-5-24(6-2)30(27,28)15-9-10-17(26)23(11-15)12-16(25)21-20-22-18-13(3)7-8-14(4)19(18)29-20/h7-11H,5-6,12H2,1-4H3,(H,21,22,25).

What are the key properties of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide?

2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 448.57 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 30969513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).