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

C19H20N4O3S2 — CID 44993047

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

4-[methyl(propan-2-yl)sulfamoyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 44993047) has the molecular formula C19H20N4O3S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 4-[methyl(propan-2-yl)sulfamoyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 4-[methyl(propan-2-yl)sulfamoyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
• PubChem CID: 44993047
• Molecular Formula: C19H20N4O3S2
• Molecular Weight: 416.53 g/mol
• Exact Mass: 416.10
• IUPAC Name: 4-[methyl(propan-2-yl)sulfamoyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
• SMILES: CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1
• InChI: InChI=1S/C19H20N4O3S2/c1-13(2)23(3)28(25,26)16-8-6-14(7-9-16)18(24)22-19-21-17(12-27-19)15-5-4-10-20-11-15/h4-13H,1-3H3,(H,21,22,24)
• InChIKey: VXXUALXTZOTKFD-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 92.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.53
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[methyl(propan-2-yl)sulfamoyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide (CID 44993047) is 4-[methyl(propan-2-yl)sulfamoyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide.

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

The canonical SMILES for 4-[methyl(propan-2-yl)sulfamoyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide is CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1.

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

The InChIKey is VXXUALXTZOTKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S2/c1-13(2)23(3)28(25,26)16-8-6-14(7-9-16)18(24)22-19-21-17(12-27-19)15-5-4-10-20-11-15/h4-13H,1-3H3,(H,21,22,24).

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

4-[methyl(propan-2-yl)sulfamoyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 416.53 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[methyl(propan-2-yl)sulfamoyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 44993047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).