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

C22H25N5O4S — CID 97043382

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

N-[(1R)-2-methyl-1-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide (PubChem CID 97043382) has the molecular formula C22H25N5O4S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[(1R)-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: N-[(1R)-2-methyl-1-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide
• PubChem CID: 97043382
• Molecular Formula: C22H25N5O4S
• Molecular Weight: 455.54 g/mol
• Exact Mass: 455.16
• IUPAC Name: N-[(1R)-2-methyl-1-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide
• SMILES: CC(C)[C@@H](NS(=O)(=O)c1ccccc1)c1nc(-c2ccc3c(c2)[nH]c(=O)n3C(C)C)no1
• InChI: InChI=1S/C22H25N5O4S/c1-13(2)19(26-32(29,30)16-8-6-5-7-9-16)21-24-20(25-31-21)15-10-11-18-17(12-15)23-22(28)27(18)14(3)4/h5-14,19,26H,1-4H3,(H,23,28)/t19-/m1/s1
• InChIKey: AHURPQOFVWKJJV-LJQANCHMSA-N
• XLogP: 3.64
• TPSA: 122.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.54
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-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 N-[(1R)-2-methyl-1-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide (CID 97043382) is N-[(1R)-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 N-[(1R)-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 N-[(1R)-2-methyl-1-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide is CC(C)[C@@H](NS(=O)(=O)c1ccccc1)c1nc(-c2ccc3c(c2)[nH]c(=O)n3C(C)C)no1.

What is the InChIKey of N-[(1R)-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 AHURPQOFVWKJJV-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25N5O4S/c1-13(2)19(26-32(29,30)16-8-6-5-7-9-16)21-24-20(25-31-21)15-10-11-18-17(12-15)23-22(28)27(18)14(3)4/h5-14,19,26H,1-4H3,(H,23,28)/t19-/m1/s1.

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

N-[(1R)-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 455.54 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-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 97043382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).