N-[2-[(2-butan-2-yl-3-methyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide

C22H27F3N2O5S2 — CID 153328394

About N-[2-[(2-butan-2-yl-3-methyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide

N-[2-[(2-butan-2-yl-3-methyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide (PubChem CID 153328394) has the molecular formula C22H27F3N2O5S2 and a molecular weight of 520.60 g/mol. Its IUPAC name is N-[2-[(2-butan-2-yl-3-methyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[(2-butan-2-yl-3-methyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide
• PubChem CID: 153328394
• Molecular Formula: C22H27F3N2O5S2
• Molecular Weight: 520.60 g/mol
• Exact Mass: 520.13
• IUPAC Name: N-[2-[(2-butan-2-yl-3-methyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide
• SMILES: CCC(C)N1OC(=O)C(Cc2sccc2N(Cc2ccc(OC)cc2)S(=O)(=O)C(F)(F)F)C1C
• InChI: InChI=1S/C22H27F3N2O5S2/c1-5-14(2)27-15(3)18(21(28)32-27)12-20-19(10-11-33-20)26(34(29,30)22(23,24)25)13-16-6-8-17(31-4)9-7-16/h6-11,14-15,18H,5,12-13H2,1-4H3
• InChIKey: YZHBCNAVFREXNH-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 76.15 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.60
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-butan-2-yl-3-methyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide?

The IUPAC name of N-[2-[(2-butan-2-yl-3-methyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide (CID 153328394) is N-[2-[(2-butan-2-yl-3-methyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide.

What is the SMILES notation for N-[2-[(2-butan-2-yl-3-methyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide?

The canonical SMILES for N-[2-[(2-butan-2-yl-3-methyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide is CCC(C)N1OC(=O)C(Cc2sccc2N(Cc2ccc(OC)cc2)S(=O)(=O)C(F)(F)F)C1C.

What is the InChIKey of N-[2-[(2-butan-2-yl-3-methyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide?

The InChIKey is YZHBCNAVFREXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N2O5S2/c1-5-14(2)27-15(3)18(21(28)32-27)12-20-19(10-11-33-20)26(34(29,30)22(23,24)25)13-16-6-8-17(31-4)9-7-16/h6-11,14-15,18H,5,12-13H2,1-4H3.

What are the key properties of N-[2-[(2-butan-2-yl-3-methyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide?

N-[2-[(2-butan-2-yl-3-methyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide has a molecular weight of 520.60 g/mol, XLogP of 4.73, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2-butan-2-yl-3-methyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 153328394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).