4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide

C24H28N4O5S — CID 43973737

About 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43973737) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 43973737
• Molecular Formula: C24H28N4O5S
• Molecular Weight: 484.58 g/mol
• Exact Mass: 484.18
• IUPAC Name: 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: CCc1ccc(Cc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CC(C)OC(C)C4)cc3)o2)cc1
• InChI: InChI=1S/C24H28N4O5S/c1-4-18-5-7-19(8-6-18)13-22-26-27-24(33-22)25-23(29)20-9-11-21(12-10-20)34(30,31)28-14-16(2)32-17(3)15-28/h5-12,16-17H,4,13-15H2,1-3H3,(H,25,27,29)
• InChIKey: ZQJSUPYQSLFJKM-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 114.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.58
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?

The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (CID 43973737) is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.

What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?

The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is CCc1ccc(Cc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CC(C)OC(C)C4)cc3)o2)cc1.

What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?

The InChIKey is ZQJSUPYQSLFJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-4-18-5-7-19(8-6-18)13-22-26-27-24(33-22)25-23(29)20-9-11-21(12-10-20)34(30,31)28-14-16(2)32-17(3)15-28/h5-12,16-17H,4,13-15H2,1-3H3,(H,25,27,29).

What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 484.58 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43973737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).