4-methyl-N-[2-methyl-1-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide

C23H27N5O4S — CID 53065731

About 4-methyl-N-[2-methyl-1-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide

4-methyl-N-[2-methyl-1-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide (PubChem CID 53065731) has the molecular formula C23H27N5O4S and a molecular weight of 469.57 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-1-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-methyl-N-[2-methyl-1-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide
• PubChem CID: 53065731
• Molecular Formula: C23H27N5O4S
• Molecular Weight: 469.57 g/mol
• Exact Mass: 469.18
• IUPAC Name: 4-methyl-N-[2-methyl-1-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide
• SMILES: Cc1ccc(S(=O)(=O)NC(c2nc(-c3ccc4c(c3)[nH]c(=O)n4C(C)C)no2)C(C)C)cc1
• InChI: InChI=1S/C23H27N5O4S/c1-13(2)20(27-33(30,31)17-9-6-15(5)7-10-17)22-25-21(26-32-22)16-8-11-19-18(12-16)24-23(29)28(19)14(3)4/h6-14,20,27H,1-5H3,(H,24,29)
• InChIKey: FRCMZYUCQWQUDD-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 122.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.57
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-1-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide?

The IUPAC name of 4-methyl-N-[2-methyl-1-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide (CID 53065731) is 4-methyl-N-[2-methyl-1-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide.

What is the SMILES notation for 4-methyl-N-[2-methyl-1-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide?

The canonical SMILES for 4-methyl-N-[2-methyl-1-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(c2nc(-c3ccc4c(c3)[nH]c(=O)n4C(C)C)no2)C(C)C)cc1.

What is the InChIKey of 4-methyl-N-[2-methyl-1-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide?

The InChIKey is FRCMZYUCQWQUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4S/c1-13(2)20(27-33(30,31)17-9-6-15(5)7-10-17)22-25-21(26-32-22)16-8-11-19-18(12-16)24-23(29)28(19)14(3)4/h6-14,20,27H,1-5H3,(H,24,29).

What are the key properties of 4-methyl-N-[2-methyl-1-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide?

4-methyl-N-[2-methyl-1-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide has a molecular weight of 469.57 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[2-methyl-1-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 53065731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).