4-(azepan-1-ylsulfonyl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide

C24H34N4O3S2 — CID 24611202

About 4-(azepan-1-ylsulfonyl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide

4-(azepan-1-ylsulfonyl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 24611202) has the molecular formula C24H34N4O3S2 and a molecular weight of 490.70 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-(azepan-1-ylsulfonyl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
• PubChem CID: 24611202
• Molecular Formula: C24H34N4O3S2
• Molecular Weight: 490.70 g/mol
• Exact Mass: 490.21
• IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
• SMILES: CC1CC(C)CN(Cc2csc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)n2)C1
• InChI: InChI=1S/C24H34N4O3S2/c1-18-13-19(2)15-27(14-18)16-21-17-32-24(25-21)26-23(29)20-7-9-22(10-8-20)33(30,31)28-11-5-3-4-6-12-28/h7-10,17-19H,3-6,11-16H2,1-2H3,(H,25,26,29)
• InChIKey: FCKUOTGQRJYDON-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.70
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonyl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 4-(azepan-1-ylsulfonyl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide (CID 24611202) is 4-(azepan-1-ylsulfonyl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 4-(azepan-1-ylsulfonyl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 4-(azepan-1-ylsulfonyl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide is CC1CC(C)CN(Cc2csc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)n2)C1.

What is the InChIKey of 4-(azepan-1-ylsulfonyl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?

The InChIKey is FCKUOTGQRJYDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3S2/c1-18-13-19(2)15-27(14-18)16-21-17-32-24(25-21)26-23(29)20-7-9-22(10-8-20)33(30,31)28-11-5-3-4-6-12-28/h7-10,17-19H,3-6,11-16H2,1-2H3,(H,25,26,29).

What are the key properties of 4-(azepan-1-ylsulfonyl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?

4-(azepan-1-ylsulfonyl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 490.70 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(azepan-1-ylsulfonyl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 24611202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).