N-(4-methoxyphenyl)-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide

C21H23N3O6S — CID 19260097

About N-(4-methoxyphenyl)-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide

N-(4-methoxyphenyl)-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide (PubChem CID 19260097) has the molecular formula C21H23N3O6S and a molecular weight of 445.50 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-(4-methoxyphenyl)-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
• PubChem CID: 19260097
• Molecular Formula: C21H23N3O6S
• Molecular Weight: 445.50 g/mol
• Exact Mass: 445.13
• IUPAC Name: N-(4-methoxyphenyl)-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
• SMILES: COc1ccc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1
• InChI: InChI=1S/C21H23N3O6S/c1-29-16-7-5-15(6-8-16)22-20(25)14-24-18-10-9-17(13-19(18)30-21(24)26)31(27,28)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,25)
• InChIKey: VGLCAQCFCYJMCO-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 110.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.50
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(4-methoxyphenyl)-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide (CID 19260097) is N-(4-methoxyphenyl)-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide.

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

The canonical SMILES for N-(4-methoxyphenyl)-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide is COc1ccc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1.

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

The InChIKey is VGLCAQCFCYJMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O6S/c1-29-16-7-5-15(6-8-16)22-20(25)14-24-18-10-9-17(13-19(18)30-21(24)26)31(27,28)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,25).

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

N-(4-methoxyphenyl)-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 445.50 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methoxyphenyl)-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 19260097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).