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

C21H30N4O3S2 — CID 30187243

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

N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 30187243) has the molecular formula C21H30N4O3S2 and a molecular weight of 450.63 g/mol. Its IUPAC name is N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

• Compound Name: N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
• PubChem CID: 30187243
• Molecular Formula: C21H30N4O3S2
• Molecular Weight: 450.63 g/mol
• Exact Mass: 450.18
• IUPAC Name: N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
• SMILES: CC1CCN(Cc2csc(NC(=O)c3ccc(S(=O)(=O)N(C)C(C)C)cc3)n2)CC1
• InChI: InChI=1S/C21H30N4O3S2/c1-15(2)24(4)30(27,28)19-7-5-17(6-8-19)20(26)23-21-22-18(14-29-21)13-25-11-9-16(3)10-12-25/h5-8,14-16H,9-13H2,1-4H3,(H,22,23,26)
• InChIKey: GIPVGACWOXWLST-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.63
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 30187243) is N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide.

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

The canonical SMILES for N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide is CC1CCN(Cc2csc(NC(=O)c3ccc(S(=O)(=O)N(C)C(C)C)cc3)n2)CC1.

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

The InChIKey is GIPVGACWOXWLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3S2/c1-15(2)24(4)30(27,28)19-7-5-17(6-8-19)20(26)23-21-22-18(14-29-21)13-25-11-9-16(3)10-12-25/h5-8,14-16H,9-13H2,1-4H3,(H,22,23,26).

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

N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 450.63 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 30187243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).