4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide

C20H21N5O5S — CID 4199184

About 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 4199184) has the molecular formula C20H21N5O5S and a molecular weight of 443.49 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
• PubChem CID: 4199184
• Molecular Formula: C20H21N5O5S
• Molecular Weight: 443.49 g/mol
• Exact Mass: 443.13
• IUPAC Name: 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
• SMILES: CC1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccccn4)o3)cc2)CC(C)O1
• InChI: InChI=1S/C20H21N5O5S/c1-13-11-25(12-14(2)29-13)31(27,28)16-8-6-15(7-9-16)18(26)22-20-24-23-19(30-20)17-5-3-4-10-21-17/h3-10,13-14H,11-12H2,1-2H3,(H,22,24,26)
• InChIKey: QTFMUTWTGGVABQ-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 127.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.49
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 4199184) is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

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

The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide is CC1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccccn4)o3)cc2)CC(C)O1.

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

The InChIKey is QTFMUTWTGGVABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O5S/c1-13-11-25(12-14(2)29-13)31(27,28)16-8-6-15(7-9-16)18(26)22-20-24-23-19(30-20)17-5-3-4-10-21-17/h3-10,13-14H,11-12H2,1-2H3,(H,22,24,26).

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

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 443.49 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 4199184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).