2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-methoxyphenyl)acetamide

C23H27N3O6S — CID 53124829

About 2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-methoxyphenyl)acetamide

2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 53124829) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is 2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-methoxyphenyl)acetamide
• PubChem CID: 53124829
• Molecular Formula: C23H27N3O6S
• Molecular Weight: 473.55 g/mol
• Exact Mass: 473.16
• IUPAC Name: 2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-methoxyphenyl)acetamide
• SMILES: CCn1c(=O)oc2cc(S(=O)(=O)N3CCC(CC(=O)Nc4cccc(OC)c4)CC3)ccc21
• InChI: InChI=1S/C23H27N3O6S/c1-3-26-20-8-7-19(15-21(20)32-23(26)28)33(29,30)25-11-9-16(10-12-25)13-22(27)24-17-5-4-6-18(14-17)31-2/h4-8,14-16H,3,9-13H2,1-2H3,(H,24,27)
• InChIKey: DWOJXZPIOQIKFL-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 110.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.55
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-methoxyphenyl)acetamide (CID 53124829) is 2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-methoxyphenyl)acetamide.

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

The canonical SMILES for 2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-methoxyphenyl)acetamide is CCn1c(=O)oc2cc(S(=O)(=O)N3CCC(CC(=O)Nc4cccc(OC)c4)CC3)ccc21.

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

The InChIKey is DWOJXZPIOQIKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6S/c1-3-26-20-8-7-19(15-21(20)32-23(26)28)33(29,30)25-11-9-16(10-12-25)13-22(27)24-17-5-4-6-18(14-17)31-2/h4-8,14-16H,3,9-13H2,1-2H3,(H,24,27).

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

2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 473.55 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 53124829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).