4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide

C24H28N4O4S2 — CID 43974020

About 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43974020) has the molecular formula C24H28N4O4S2 and a molecular weight of 500.65 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 43974020
• Molecular Formula: C24H28N4O4S2
• Molecular Weight: 500.65 g/mol
• Exact Mass: 500.16
• IUPAC Name: 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: CSc1ccc(Cc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CC(C)CC(C)C4)cc3)o2)cc1
• InChI: InChI=1S/C24H28N4O4S2/c1-16-12-17(2)15-28(14-16)34(30,31)21-10-6-19(7-11-21)23(29)25-24-27-26-22(32-24)13-18-4-8-20(33-3)9-5-18/h4-11,16-17H,12-15H2,1-3H3,(H,25,27,29)
• InChIKey: JSKOWHKUUXDXIS-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.65
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?

The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (CID 43974020) is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.

What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?

The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is CSc1ccc(Cc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CC(C)CC(C)C4)cc3)o2)cc1.

What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?

The InChIKey is JSKOWHKUUXDXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S2/c1-16-12-17(2)15-28(14-16)34(30,31)21-10-6-19(7-11-21)23(29)25-24-27-26-22(32-24)13-18-4-8-20(33-3)9-5-18/h4-11,16-17H,12-15H2,1-3H3,(H,25,27,29).

What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 500.65 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43974020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).