2-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide

C22H24ClN3O7S — CID 41151452

About 2-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide

2-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 41151452) has the molecular formula C22H24ClN3O7S and a molecular weight of 509.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
• PubChem CID: 41151452
• Molecular Formula: C22H24ClN3O7S
• Molecular Weight: 509.97 g/mol
• Exact Mass: 509.10
• IUPAC Name: 2-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
• SMILES: CCOc1cc(-c2nnc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)o2)cc(OCC)c1OCC
• InChI: InChI=1S/C22H24ClN3O7S/c1-4-30-17-11-14(12-18(31-5-2)20(17)32-6-3)21-25-26-22(33-21)24-19(27)13-34(28,29)16-9-7-15(23)8-10-16/h7-12H,4-6,13H2,1-3H3,(H,24,26,27)
• InChIKey: UMOXDFOWSCEQQO-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 129.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.97
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide?

The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 41151452) is 2-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide.

What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide?

The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide is CCOc1cc(-c2nnc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)o2)cc(OCC)c1OCC.

What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide?

The InChIKey is UMOXDFOWSCEQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O7S/c1-4-30-17-11-14(12-18(31-5-2)20(17)32-6-3)21-25-26-22(33-21)24-19(27)13-34(28,29)16-9-7-15(23)8-10-16/h7-12H,4-6,13H2,1-3H3,(H,24,26,27).

What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide?

2-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 509.97 g/mol, XLogP of 4.00, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 41151452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).