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

C22H24FN3O5S — CID 53124845

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

2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 53124845) has the molecular formula C22H24FN3O5S and a molecular weight of 461.52 g/mol. Its IUPAC name is 2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide
• PubChem CID: 53124845
• Molecular Formula: C22H24FN3O5S
• Molecular Weight: 461.52 g/mol
• Exact Mass: 461.14
• IUPAC Name: 2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide
• SMILES: CCn1c(=O)oc2cc(S(=O)(=O)N3CCC(CC(=O)Nc4ccc(F)cc4)CC3)ccc21
• InChI: InChI=1S/C22H24FN3O5S/c1-2-26-19-8-7-18(14-20(19)31-22(26)28)32(29,30)25-11-9-15(10-12-25)13-21(27)24-17-5-3-16(23)4-6-17/h3-8,14-15H,2,9-13H2,1H3,(H,24,27)
• InChIKey: VKZGWBLHHKCQPP-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 101.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.52
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-(4-fluorophenyl)acetamide?

The IUPAC name of 2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide (CID 53124845) is 2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide.

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

The canonical SMILES for 2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide is CCn1c(=O)oc2cc(S(=O)(=O)N3CCC(CC(=O)Nc4ccc(F)cc4)CC3)ccc21.

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

The InChIKey is VKZGWBLHHKCQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O5S/c1-2-26-19-8-7-18(14-20(19)31-22(26)28)32(29,30)25-11-9-15(10-12-25)13-21(27)24-17-5-3-16(23)4-6-17/h3-8,14-15H,2,9-13H2,1H3,(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-(4-fluorophenyl)acetamide?

2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 461.52 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-(4-fluorophenyl)acetamide is sourced from PubChem (CID 53124845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).