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

C23H27N5O4S — CID 53065795

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

4-methyl-N-[2-methyl-1-[3-(2-oxo-1-propyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide (PubChem CID 53065795) 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-propyl-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-propyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide
• PubChem CID: 53065795
• 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-propyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide
• SMILES: CCCn1c(=O)[nH]c2cc(-c3noc(C(NS(=O)(=O)c4ccc(C)cc4)C(C)C)n3)ccc21
• InChI: InChI=1S/C23H27N5O4S/c1-5-12-28-19-11-8-16(13-18(19)24-23(28)29)21-25-22(32-26-21)20(14(2)3)27-33(30,31)17-9-6-15(4)7-10-17/h6-11,13-14,20,27H,5,12H2,1-4H3,(H,24,29)
• InChIKey: MZHDMAJHGIHBGG-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 122.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.57
LogP ≤ 5	3.77
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-propyl-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-propyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide (CID 53065795) is 4-methyl-N-[2-methyl-1-[3-(2-oxo-1-propyl-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-propyl-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-propyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide is CCCn1c(=O)[nH]c2cc(-c3noc(C(NS(=O)(=O)c4ccc(C)cc4)C(C)C)n3)ccc21.

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

The InChIKey is MZHDMAJHGIHBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4S/c1-5-12-28-19-11-8-16(13-18(19)24-23(28)29)21-25-22(32-26-21)20(14(2)3)27-33(30,31)17-9-6-15(4)7-10-17/h6-11,13-14,20,27H,5,12H2,1-4H3,(H,24,29).

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

4-methyl-N-[2-methyl-1-[3-(2-oxo-1-propyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide has a molecular weight of 469.57 g/mol, XLogP of 3.77, 8 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-propyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 53065795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).