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

C23H26ClN3O5S — CID 53124902

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

N-(4-chlorophenyl)-2-[1-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide (PubChem CID 53124902) has the molecular formula C23H26ClN3O5S and a molecular weight of 492.00 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[1-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-2-[1-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
• PubChem CID: 53124902
• Molecular Formula: C23H26ClN3O5S
• Molecular Weight: 492.00 g/mol
• Exact Mass: 491.13
• IUPAC Name: N-(4-chlorophenyl)-2-[1-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
• SMILES: CC(C)n1c(=O)oc2cc(S(=O)(=O)N3CCC(CC(=O)Nc4ccc(Cl)cc4)CC3)ccc21
• InChI: InChI=1S/C23H26ClN3O5S/c1-15(2)27-20-8-7-19(14-21(20)32-23(27)29)33(30,31)26-11-9-16(10-12-26)13-22(28)25-18-5-3-17(24)4-6-18/h3-8,14-16H,9-13H2,1-2H3,(H,25,28)
• InChIKey: UVIMSJPXGFJWBE-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 101.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.00
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(4-chlorophenyl)-2-[1-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide (CID 53124902) is N-(4-chlorophenyl)-2-[1-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide.

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

The canonical SMILES for N-(4-chlorophenyl)-2-[1-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide is CC(C)n1c(=O)oc2cc(S(=O)(=O)N3CCC(CC(=O)Nc4ccc(Cl)cc4)CC3)ccc21.

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

The InChIKey is UVIMSJPXGFJWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O5S/c1-15(2)27-20-8-7-19(14-21(20)32-23(27)29)33(30,31)26-11-9-16(10-12-26)13-22(28)25-18-5-3-17(24)4-6-18/h3-8,14-16H,9-13H2,1-2H3,(H,25,28).

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

N-(4-chlorophenyl)-2-[1-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide has a molecular weight of 492.00 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-2-[1-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 53124902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).