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

C33H25F6N3O5S — CID 11763888

IUPAC5-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]benzamide
SMILESCc1noc([C@@H](Cc2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)NC(=O)c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2O)n1
InChIInChI=1S/C33H25F6N3O5S/c1-18-40-31(47-42-18)28(13-19-3-5-20(6-4-19)21-7-10-26(11-8-21)48(2,45)46)41-30(44)27-16-22(9-12-29(27)43)23-14-24(32(34,35)36)17-25(15-23)33(37,38)39/h3-12,14-17,28,43H,13H2,1-2H3,(H,41,44)/t28-/m1/s1
InChIKeyXLCBQHLHVNJFCC-MUUNZHRXSA-N
MW689.63 g/mol
LogP7.57
Rot. Bonds8

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

5-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]benzamide (PubChem CID 11763888) has the molecular formula C33H25F6N3O5S and a molecular weight of 689.63 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name5-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]benzamide
PubChem CID11763888
Molecular FormulaC33H25F6N3O5S
Molecular Weight689.63 g/mol
Exact Mass689.14
IUPAC Name5-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]benzamide
SMILESCc1noc([C@@H](Cc2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)NC(=O)c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2O)n1
InChIInChI=1S/C33H25F6N3O5S/c1-18-40-31(47-42-18)28(13-19-3-5-20(6-4-19)21-7-10-26(11-8-21)48(2,45)46)41-30(44)27-16-22(9-12-29(27)43)23-14-24(32(34,35)36)17-25(15-23)33(37,38)39/h3-12,14-17,28,43H,13H2,1-2H3,(H,41,44)/t28-/m1/s1
InChIKeyXLCBQHLHVNJFCC-MUUNZHRXSA-N
XLogP7.57
TPSA122.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.63
LogP ≤ 57.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]benzamide?
The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]benzamide (CID 11763888) is 5-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 5-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]benzamide?
The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]benzamide is Cc1noc([C@@H](Cc2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)NC(=O)c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2O)n1.
What is the InChIKey of 5-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]benzamide?
The InChIKey is XLCBQHLHVNJFCC-MUUNZHRXSA-N. The full InChI is InChI=1S/C33H25F6N3O5S/c1-18-40-31(47-42-18)28(13-19-3-5-20(6-4-19)21-7-10-26(11-8-21)48(2,45)46)41-30(44)27-16-22(9-12-29(27)43)23-14-24(32(34,35)36)17-25(15-23)33(37,38)39/h3-12,14-17,28,43H,13H2,1-2H3,(H,41,44)/t28-/m1/s1.
What are the key properties of 5-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]benzamide?
5-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]benzamide has a molecular weight of 689.63 g/mol, XLogP of 7.57, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 11763888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).