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

C19H20N4O5S2 — CID 2051096

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

4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 2051096) has the molecular formula C19H20N4O5S2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
• PubChem CID: 2051096
• Molecular Formula: C19H20N4O5S2
• Molecular Weight: 448.53 g/mol
• Exact Mass: 448.09
• IUPAC Name: 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
• SMILES: C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccs4)o3)cc2)C[C@H](C)O1
• InChI: InChI=1S/C19H20N4O5S2/c1-12-10-23(11-13(2)27-12)30(25,26)15-7-5-14(6-8-15)17(24)20-19-22-21-18(28-19)16-4-3-9-29-16/h3-9,12-13H,10-11H2,1-2H3,(H,20,22,24)/t12-,13-/m0/s1
• InChIKey: QFALVAPNWLUXLE-STQMWFEESA-N
• XLogP: 2.85
• TPSA: 114.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.53
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 2051096) is 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

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

The canonical SMILES for 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccs4)o3)cc2)C[C@H](C)O1.

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

The InChIKey is QFALVAPNWLUXLE-STQMWFEESA-N. The full InChI is InChI=1S/C19H20N4O5S2/c1-12-10-23(11-13(2)27-12)30(25,26)15-7-5-14(6-8-15)17(24)20-19-22-21-18(28-19)16-4-3-9-29-16/h3-9,12-13H,10-11H2,1-2H3,(H,20,22,24)/t12-,13-/m0/s1.

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

4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 448.53 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 2051096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).