N-(6-methyl-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide

C25H26N4O3S2 — CID 44993421

About N-(6-methyl-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide

N-(6-methyl-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 44993421) has the molecular formula C25H26N4O3S2 and a molecular weight of 494.64 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
• PubChem CID: 44993421
• Molecular Formula: C25H26N4O3S2
• Molecular Weight: 494.64 g/mol
• Exact Mass: 494.14
• IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
• SMILES: Cc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccc(S(=O)(=O)N(C)C(C)C)cc3)sc2c1
• InChI: InChI=1S/C25H26N4O3S2/c1-17(2)28(4)34(31,32)21-11-9-19(10-12-21)24(30)29(16-20-7-5-6-14-26-20)25-27-22-13-8-18(3)15-23(22)33-25/h5-15,17H,16H2,1-4H3
• InChIKey: XDCPWFMHFGJUQI-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 83.47 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.64
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?

The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide (CID 44993421) is N-(6-methyl-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide.

What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?

The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide is Cc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccc(S(=O)(=O)N(C)C(C)C)cc3)sc2c1.

What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?

The InChIKey is XDCPWFMHFGJUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S2/c1-17(2)28(4)34(31,32)21-11-9-19(10-12-21)24(30)29(16-20-7-5-6-14-26-20)25-27-22-13-8-18(3)15-23(22)33-25/h5-15,17H,16H2,1-4H3.

What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?

N-(6-methyl-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 494.64 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methyl-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 44993421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).