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

C22H24ClN3O5S — CID 53124765

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

N-[(2-chlorophenyl)methyl]-2-[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide (PubChem CID 53124765) has the molecular formula C22H24ClN3O5S and a molecular weight of 477.97 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-2-[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
• PubChem CID: 53124765
• Molecular Formula: C22H24ClN3O5S
• Molecular Weight: 477.97 g/mol
• Exact Mass: 477.11
• IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
• SMILES: Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(CC(=O)NCc4ccccc4Cl)CC3)ccc21
• InChI: InChI=1S/C22H24ClN3O5S/c1-25-19-7-6-17(13-20(19)31-22(25)28)32(29,30)26-10-8-15(9-11-26)12-21(27)24-14-16-4-2-3-5-18(16)23/h2-7,13,15H,8-12,14H2,1H3,(H,24,27)
• InChIKey: OKUDCNSQCWIGHW-UHFFFAOYSA-N
• XLogP: 2.89
• 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	477.97
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide (CID 53124765) is N-[(2-chlorophenyl)methyl]-2-[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide.

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

The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide is Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(CC(=O)NCc4ccccc4Cl)CC3)ccc21.

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

The InChIKey is OKUDCNSQCWIGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O5S/c1-25-19-7-6-17(13-20(19)31-22(25)28)32(29,30)26-10-8-15(9-11-26)12-21(27)24-14-16-4-2-3-5-18(16)23/h2-7,13,15H,8-12,14H2,1H3,(H,24,27).

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

N-[(2-chlorophenyl)methyl]-2-[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide has a molecular weight of 477.97 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-2-[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 53124765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).