4-methoxy-3-morpholin-4-ylsulfonyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]benzamide

C24H28N4O6S — CID 100795486

About 4-methoxy-3-morpholin-4-ylsulfonyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]benzamide

4-methoxy-3-morpholin-4-ylsulfonyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]benzamide (PubChem CID 100795486) has the molecular formula C24H28N4O6S and a molecular weight of 500.58 g/mol. Its IUPAC name is 4-methoxy-3-morpholin-4-ylsulfonyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-methoxy-3-morpholin-4-ylsulfonyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]benzamide
• PubChem CID: 100795486
• Molecular Formula: C24H28N4O6S
• Molecular Weight: 500.58 g/mol
• Exact Mass: 500.17
• IUPAC Name: 4-methoxy-3-morpholin-4-ylsulfonyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]benzamide
• SMILES: COc1ccc(C(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)cc1S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C24H28N4O6S/c1-16(2)24-26-22(27-34-24)14-17-4-7-19(8-5-17)25-23(29)18-6-9-20(32-3)21(15-18)35(30,31)28-10-12-33-13-11-28/h4-9,15-16H,10-14H2,1-3H3,(H,25,29)
• InChIKey: VNHXRLJOOYNTDH-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 123.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.58
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-morpholin-4-ylsulfonyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]benzamide?

The IUPAC name of 4-methoxy-3-morpholin-4-ylsulfonyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]benzamide (CID 100795486) is 4-methoxy-3-morpholin-4-ylsulfonyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]benzamide.

What is the SMILES notation for 4-methoxy-3-morpholin-4-ylsulfonyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]benzamide?

The canonical SMILES for 4-methoxy-3-morpholin-4-ylsulfonyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)cc1S(=O)(=O)N1CCOCC1.

What is the InChIKey of 4-methoxy-3-morpholin-4-ylsulfonyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]benzamide?

The InChIKey is VNHXRLJOOYNTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O6S/c1-16(2)24-26-22(27-34-24)14-17-4-7-19(8-5-17)25-23(29)18-6-9-20(32-3)21(15-18)35(30,31)28-10-12-33-13-11-28/h4-9,15-16H,10-14H2,1-3H3,(H,25,29).

What are the key properties of 4-methoxy-3-morpholin-4-ylsulfonyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]benzamide?

4-methoxy-3-morpholin-4-ylsulfonyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]benzamide has a molecular weight of 500.58 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-3-morpholin-4-ylsulfonyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 100795486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).