N-[[2-[3-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-2,2,2-trifluoroacetamide

C28H28F3N5O4S — CID 11592362

About N-[[2-[3-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-2,2,2-trifluoroacetamide

N-[[2-[3-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 11592362) has the molecular formula C28H28F3N5O4S and a molecular weight of 587.62 g/mol. Its IUPAC name is N-[[2-[3-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: N-[[2-[3-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-2,2,2-trifluoroacetamide
• PubChem CID: 11592362
• Molecular Formula: C28H28F3N5O4S
• Molecular Weight: 587.62 g/mol
• Exact Mass: 587.18
• IUPAC Name: N-[[2-[3-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-2,2,2-trifluoroacetamide
• SMILES: CN(c1cc(-c2nnc(C(C)(N)Cc3ccccc3)o2)cc(-c2ccccc2CNC(=O)C(F)(F)F)c1)S(C)(=O)=O
• InChI: InChI=1S/C28H28F3N5O4S/c1-27(32,16-18-9-5-4-6-10-18)26-35-34-24(40-26)21-13-20(14-22(15-21)36(2)41(3,38)39)23-12-8-7-11-19(23)17-33-25(37)28(29,30)31/h4-15H,16-17,32H2,1-3H3,(H,33,37)
• InChIKey: PFWJWUZYIWQNKI-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 131.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.62
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-2,2,2-trifluoroacetamide?

The IUPAC name of N-[[2-[3-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-2,2,2-trifluoroacetamide (CID 11592362) is N-[[2-[3-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-2,2,2-trifluoroacetamide.

What is the SMILES notation for N-[[2-[3-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-2,2,2-trifluoroacetamide?

The canonical SMILES for N-[[2-[3-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-2,2,2-trifluoroacetamide is CN(c1cc(-c2nnc(C(C)(N)Cc3ccccc3)o2)cc(-c2ccccc2CNC(=O)C(F)(F)F)c1)S(C)(=O)=O.

What is the InChIKey of N-[[2-[3-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-2,2,2-trifluoroacetamide?

The InChIKey is PFWJWUZYIWQNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N5O4S/c1-27(32,16-18-9-5-4-6-10-18)26-35-34-24(40-26)21-13-20(14-22(15-21)36(2)41(3,38)39)23-12-8-7-11-19(23)17-33-25(37)28(29,30)31/h4-15H,16-17,32H2,1-3H3,(H,33,37).

What are the key properties of N-[[2-[3-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-2,2,2-trifluoroacetamide?

N-[[2-[3-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 587.62 g/mol, XLogP of 4.39, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[3-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 11592362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).