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

C20H28N4O3S2 — CID 30182568

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

3-[methyl(propan-2-yl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 30182568) has the molecular formula C20H28N4O3S2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-[methyl(propan-2-yl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
• PubChem CID: 30182568
• Molecular Formula: C20H28N4O3S2
• Molecular Weight: 436.60 g/mol
• Exact Mass: 436.16
• IUPAC Name: 3-[methyl(propan-2-yl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
• SMILES: CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(CN3CCCCC3)cs2)c1
• InChI: InChI=1S/C20H28N4O3S2/c1-15(2)23(3)29(26,27)18-9-7-8-16(12-18)19(25)22-20-21-17(14-28-20)13-24-10-5-4-6-11-24/h7-9,12,14-15H,4-6,10-11,13H2,1-3H3,(H,21,22,25)
• InChIKey: AANMKXJEUMCDTN-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.60
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[methyl(propan-2-yl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide (CID 30182568) is 3-[methyl(propan-2-yl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide.

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

The canonical SMILES for 3-[methyl(propan-2-yl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide is CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(CN3CCCCC3)cs2)c1.

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

The InChIKey is AANMKXJEUMCDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S2/c1-15(2)23(3)29(26,27)18-9-7-8-16(12-18)19(25)22-20-21-17(14-28-20)13-24-10-5-4-6-11-24/h7-9,12,14-15H,4-6,10-11,13H2,1-3H3,(H,21,22,25).

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

3-[methyl(propan-2-yl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 436.60 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[methyl(propan-2-yl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 30182568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).