2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide

C22H25N3O6S — CID 20876158

About 2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide

2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 20876158) has the molecular formula C22H25N3O6S and a molecular weight of 459.52 g/mol. Its IUPAC name is 2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
• PubChem CID: 20876158
• Molecular Formula: C22H25N3O6S
• Molecular Weight: 459.52 g/mol
• Exact Mass: 459.15
• IUPAC Name: 2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
• SMILES: CC(C)c1ccc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1
• InChI: InChI=1S/C22H25N3O6S/c1-15(2)16-3-5-17(6-4-16)23-21(26)14-25-19-8-7-18(13-20(19)31-22(25)27)32(28,29)24-9-11-30-12-10-24/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,26)
• InChIKey: MKIMSRNVPAJKHH-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 110.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.52
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide?

The IUPAC name of 2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide (CID 20876158) is 2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide.

What is the SMILES notation for 2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide?

The canonical SMILES for 2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1.

What is the InChIKey of 2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide?

The InChIKey is MKIMSRNVPAJKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6S/c1-15(2)16-3-5-17(6-4-16)23-21(26)14-25-19-8-7-18(13-20(19)31-22(25)27)32(28,29)24-9-11-30-12-10-24/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,26).

What are the key properties of 2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide?

2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 459.52 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 20876158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).