2-hydroxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide

C32H26F3N3O5S — CID 11215729

About 2-hydroxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide

2-hydroxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 11215729) has the molecular formula C32H26F3N3O5S and a molecular weight of 621.64 g/mol. Its IUPAC name is 2-hydroxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 2-hydroxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 11215729
• Molecular Formula: C32H26F3N3O5S
• Molecular Weight: 621.64 g/mol
• Exact Mass: 621.15
• IUPAC Name: 2-hydroxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide
• SMILES: Cc1noc(C(Cc2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)NC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)ccc2O)n1
• InChI: InChI=1S/C32H26F3N3O5S/c1-19-36-31(43-38-19)28(17-20-3-5-21(6-4-20)22-9-14-26(15-10-22)44(2,41)42)37-30(40)27-18-24(11-16-29(27)39)23-7-12-25(13-8-23)32(33,34)35/h3-16,18,28,39H,17H2,1-2H3,(H,37,40)
• InChIKey: QWLHKVWREWYNHT-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 122.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.64
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of 2-hydroxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide (CID 11215729) is 2-hydroxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for 2-hydroxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for 2-hydroxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide is Cc1noc(C(Cc2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)NC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)ccc2O)n1.

What is the InChIKey of 2-hydroxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide?

The InChIKey is QWLHKVWREWYNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F3N3O5S/c1-19-36-31(43-38-19)28(17-20-3-5-21(6-4-20)22-9-14-26(15-10-22)44(2,41)42)37-30(40)27-18-24(11-16-29(27)39)23-7-12-25(13-8-23)32(33,34)35/h3-16,18,28,39H,17H2,1-2H3,(H,37,40).

What are the key properties of 2-hydroxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide?

2-hydroxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 621.64 g/mol, XLogP of 6.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 11215729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).