N-[[(5S)-3-[4-[6-(methylsulfamoyl)imidazo[1,2-a]pyridine-3-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C21H21N5O6S — CID 70288852

About N-[[(5S)-3-[4-[6-(methylsulfamoyl)imidazo[1,2-a]pyridine-3-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[6-(methylsulfamoyl)imidazo[1,2-a]pyridine-3-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 70288852) has the molecular formula C21H21N5O6S and a molecular weight of 471.50 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[6-(methylsulfamoyl)imidazo[1,2-a]pyridine-3-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[4-[6-(methylsulfamoyl)imidazo[1,2-a]pyridine-3-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 70288852
• Molecular Formula: C21H21N5O6S
• Molecular Weight: 471.50 g/mol
• Exact Mass: 471.12
• IUPAC Name: N-[[(5S)-3-[4-[6-(methylsulfamoyl)imidazo[1,2-a]pyridine-3-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CNS(=O)(=O)c1ccc2ncc(C(=O)c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3)n2c1
• InChI: InChI=1S/C21H21N5O6S/c1-13(27)23-9-16-11-25(21(29)32-16)15-5-3-14(4-6-15)20(28)18-10-24-19-8-7-17(12-26(18)19)33(30,31)22-2/h3-8,10,12,16,22H,9,11H2,1-2H3,(H,23,27)/t16-/m0/s1
• InChIKey: DUFFUJFUNLESHI-INIZCTEOSA-N
• XLogP: 0.93
• TPSA: 139.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.50
LogP ≤ 5	0.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[6-(methylsulfamoyl)imidazo[1,2-a]pyridine-3-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[4-[6-(methylsulfamoyl)imidazo[1,2-a]pyridine-3-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 70288852) is N-[[(5S)-3-[4-[6-(methylsulfamoyl)imidazo[1,2-a]pyridine-3-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[4-[6-(methylsulfamoyl)imidazo[1,2-a]pyridine-3-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[4-[6-(methylsulfamoyl)imidazo[1,2-a]pyridine-3-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CNS(=O)(=O)c1ccc2ncc(C(=O)c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3)n2c1.

What is the InChIKey of N-[[(5S)-3-[4-[6-(methylsulfamoyl)imidazo[1,2-a]pyridine-3-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is DUFFUJFUNLESHI-INIZCTEOSA-N. The full InChI is InChI=1S/C21H21N5O6S/c1-13(27)23-9-16-11-25(21(29)32-16)15-5-3-14(4-6-15)20(28)18-10-24-19-8-7-17(12-26(18)19)33(30,31)22-2/h3-8,10,12,16,22H,9,11H2,1-2H3,(H,23,27)/t16-/m0/s1.

What are the key properties of N-[[(5S)-3-[4-[6-(methylsulfamoyl)imidazo[1,2-a]pyridine-3-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[4-[6-(methylsulfamoyl)imidazo[1,2-a]pyridine-3-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 471.50 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[4-[6-(methylsulfamoyl)imidazo[1,2-a]pyridine-3-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 70288852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).