3-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

C19H25N3O3S2 — CID 46564547

About 3-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

3-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 46564547) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 3-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
• PubChem CID: 46564547
• Molecular Formula: C19H25N3O3S2
• Molecular Weight: 407.56 g/mol
• Exact Mass: 407.13
• IUPAC Name: 3-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
• SMILES: CC1CCc2nc(NC(=O)c3cccc(S(=O)(=O)N(C)C(C)C)c3)sc2C1
• InChI: InChI=1S/C19H25N3O3S2/c1-12(2)22(4)27(24,25)15-7-5-6-14(11-15)18(23)21-19-20-16-9-8-13(3)10-17(16)26-19/h5-7,11-13H,8-10H2,1-4H3,(H,20,21,23)
• InChIKey: RHXAULMMAGDROR-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.56
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?

The IUPAC name of 3-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide (CID 46564547) is 3-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.

What is the SMILES notation for 3-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?

The canonical SMILES for 3-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is CC1CCc2nc(NC(=O)c3cccc(S(=O)(=O)N(C)C(C)C)c3)sc2C1.

What is the InChIKey of 3-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?

The InChIKey is RHXAULMMAGDROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-12(2)22(4)27(24,25)15-7-5-6-14(11-15)18(23)21-19-20-16-9-8-13(3)10-17(16)26-19/h5-7,11-13H,8-10H2,1-4H3,(H,20,21,23).

What are the key properties of 3-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?

3-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 407.56 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 46564547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).