N-[5-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide

C20H24FN5O6S2 — CID 71652735

About N-[5-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 71652735) has the molecular formula C20H24FN5O6S2 and a molecular weight of 513.57 g/mol. Its IUPAC name is N-[5-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide
• PubChem CID: 71652735
• Molecular Formula: C20H24FN5O6S2
• Molecular Weight: 513.57 g/mol
• Exact Mass: 513.12
• IUPAC Name: N-[5-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1nc(C)c(S(=O)(=O)NC[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)s1
• InChI: InChI=1S/C20H24FN5O6S2/c1-12-18(33-19(23-12)24-13(2)27)34(29,30)22-10-15-11-26(20(28)32-15)14-3-4-17(16(21)9-14)25-5-7-31-8-6-25/h3-4,9,15,22H,5-8,10-11H2,1-2H3,(H,23,24,27)/t15-/m0/s1
• InChIKey: NRIRZRNSXQUNJD-HNNXBMFYSA-N
• XLogP: 1.69
• TPSA: 130.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.57
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-[5-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 71652735) is N-[5-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-[5-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[5-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(S(=O)(=O)NC[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)s1.

What is the InChIKey of N-[5-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The InChIKey is NRIRZRNSXQUNJD-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24FN5O6S2/c1-12-18(33-19(23-12)24-13(2)27)34(29,30)22-10-15-11-26(20(28)32-15)14-3-4-17(16(21)9-14)25-5-7-31-8-6-25/h3-4,9,15,22H,5-8,10-11H2,1-2H3,(H,23,24,27)/t15-/m0/s1.

What are the key properties of N-[5-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide?

N-[5-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 513.57 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 71652735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).