N-[2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-1H-benzimidazol-4-yl]methanesulfonamide

C26H23FN4O5S — CID 71549969

About N-[2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-1H-benzimidazol-4-yl]methanesulfonamide

N-[2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-1H-benzimidazol-4-yl]methanesulfonamide (PubChem CID 71549969) has the molecular formula C26H23FN4O5S and a molecular weight of 522.56 g/mol. Its IUPAC name is N-[2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-1H-benzimidazol-4-yl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-1H-benzimidazol-4-yl]methanesulfonamide
• PubChem CID: 71549969
• Molecular Formula: C26H23FN4O5S
• Molecular Weight: 522.56 g/mol
• Exact Mass: 522.14
• IUPAC Name: N-[2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-1H-benzimidazol-4-yl]methanesulfonamide
• SMILES: C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3c(NS(C)(=O)=O)cccc3[nH]2)C1=O
• InChI: InChI=1S/C26H23FN4O5S/c1-16(18-11-13-19(27)14-12-18)31-24(32)26(36-25(31)33,15-17-7-4-3-5-8-17)23-28-20-9-6-10-21(22(20)29-23)30-37(2,34)35/h3-14,16,30H,15H2,1-2H3,(H,28,29)/t16-,26-/m1/s1
• InChIKey: KUPHFXYMPCLWSV-AKJBCIBTSA-N
• XLogP: 4.25
• TPSA: 121.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.56
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-1H-benzimidazol-4-yl]methanesulfonamide?

The IUPAC name of N-[2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-1H-benzimidazol-4-yl]methanesulfonamide (CID 71549969) is N-[2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-1H-benzimidazol-4-yl]methanesulfonamide.

What is the SMILES notation for N-[2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-1H-benzimidazol-4-yl]methanesulfonamide?

The canonical SMILES for N-[2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-1H-benzimidazol-4-yl]methanesulfonamide is C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3c(NS(C)(=O)=O)cccc3[nH]2)C1=O.

What is the InChIKey of N-[2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-1H-benzimidazol-4-yl]methanesulfonamide?

The InChIKey is KUPHFXYMPCLWSV-AKJBCIBTSA-N. The full InChI is InChI=1S/C26H23FN4O5S/c1-16(18-11-13-19(27)14-12-18)31-24(32)26(36-25(31)33,15-17-7-4-3-5-8-17)23-28-20-9-6-10-21(22(20)29-23)30-37(2,34)35/h3-14,16,30H,15H2,1-2H3,(H,28,29)/t16-,26-/m1/s1.

What are the key properties of N-[2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-1H-benzimidazol-4-yl]methanesulfonamide?

N-[2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-1H-benzimidazol-4-yl]methanesulfonamide has a molecular weight of 522.56 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-1H-benzimidazol-4-yl]methanesulfonamide is sourced from PubChem (CID 71549969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).