N-[4-[methyl-[2-[methyl-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]sulfamoyl]phenyl]acetamide

C25H30N6O6S — CID 54452960

About N-[4-[methyl-[2-[methyl-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]sulfamoyl]phenyl]acetamide

N-[4-[methyl-[2-[methyl-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]sulfamoyl]phenyl]acetamide (PubChem CID 54452960) has the molecular formula C25H30N6O6S and a molecular weight of 542.62 g/mol. Its IUPAC name is N-[4-[methyl-[2-[methyl-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[methyl-[2-[methyl-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]sulfamoyl]phenyl]acetamide
• PubChem CID: 54452960
• Molecular Formula: C25H30N6O6S
• Molecular Weight: 542.62 g/mol
• Exact Mass: 542.19
• IUPAC Name: N-[4-[methyl-[2-[methyl-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]sulfamoyl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(S(=O)(=O)N(C)CCN(C)CC2CN(c3ccc(-c4noc(C)n4)cc3)C(=O)O2)cc1
• InChI: InChI=1S/C25H30N6O6S/c1-17(32)26-20-7-11-23(12-8-20)38(34,35)30(4)14-13-29(3)15-22-16-31(25(33)36-22)21-9-5-19(6-10-21)24-27-18(2)37-28-24/h5-12,22H,13-16H2,1-4H3,(H,26,32)
• InChIKey: WWFFUOFMTASNEZ-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 138.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.62
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl-[2-[methyl-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]sulfamoyl]phenyl]acetamide?

The IUPAC name of N-[4-[methyl-[2-[methyl-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]sulfamoyl]phenyl]acetamide (CID 54452960) is N-[4-[methyl-[2-[methyl-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]sulfamoyl]phenyl]acetamide.

What is the SMILES notation for N-[4-[methyl-[2-[methyl-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]sulfamoyl]phenyl]acetamide?

The canonical SMILES for N-[4-[methyl-[2-[methyl-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)CCN(C)CC2CN(c3ccc(-c4noc(C)n4)cc3)C(=O)O2)cc1.

What is the InChIKey of N-[4-[methyl-[2-[methyl-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]sulfamoyl]phenyl]acetamide?

The InChIKey is WWFFUOFMTASNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O6S/c1-17(32)26-20-7-11-23(12-8-20)38(34,35)30(4)14-13-29(3)15-22-16-31(25(33)36-22)21-9-5-19(6-10-21)24-27-18(2)37-28-24/h5-12,22H,13-16H2,1-4H3,(H,26,32).

What are the key properties of N-[4-[methyl-[2-[methyl-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]sulfamoyl]phenyl]acetamide?

N-[4-[methyl-[2-[methyl-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]sulfamoyl]phenyl]acetamide has a molecular weight of 542.62 g/mol, XLogP of 2.58, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[methyl-[2-[methyl-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 54452960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).