2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide

C19H17F6NO4S — CID 3652863

IUPAC2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide
SMILESCC(O)(CS(=O)(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F6NO4S/c1-17(28,16(27)26-15-7-3-6-14(9-15)19(23,24)25)11-31(29,30)10-12-4-2-5-13(8-12)18(20,21)22/h2-9,28H,10-11H2,1H3,(H,26,27)
InChIKeyIJCQKSAHDFHGAE-UHFFFAOYSA-N
MW469.40 g/mol
LogP4.03
Rot. Bonds6

About 2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide

2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide (PubChem CID 3652863) has the molecular formula C19H17F6NO4S and a molecular weight of 469.40 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide
PubChem CID3652863
Molecular FormulaC19H17F6NO4S
Molecular Weight469.40 g/mol
Exact Mass469.08
IUPAC Name2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide
SMILESCC(O)(CS(=O)(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F6NO4S/c1-17(28,16(27)26-15-7-3-6-14(9-15)19(23,24)25)11-31(29,30)10-12-4-2-5-13(8-12)18(20,21)22/h2-9,28H,10-11H2,1H3,(H,26,27)
InChIKeyIJCQKSAHDFHGAE-UHFFFAOYSA-N
XLogP4.03
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.40
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Bicalutamide
CID 2375
(R)-Bicalutamide
CID 56069
(S)-Bicalutamide
CID 441405
(2R)-3-(4-aminophenyl)sulfonyl-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 44348917
Desfluoro bicalutamide
CID 10112342
2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]-3-{[3-(trifluoromethyl)phenyl]sulfonyl}propanamide
CID 3534970
3-(benzylsulfonyl)-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3598782
3-(benzenesulfonyl)-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3794816
3-(benzenesulfonyl)-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 4678506
2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]-3-{[3-(trifluoromethyl)phenyl]sulfonyl}propanamide
CID 5188751
(2R)-3-(4-acetamidophenyl)sulfonyl-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 11812693
(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 155557872

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide?
The IUPAC name of 2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide (CID 3652863) is 2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide.
What is the SMILES notation for 2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide?
The canonical SMILES for 2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide is CC(O)(CS(=O)(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide?
The InChIKey is IJCQKSAHDFHGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6NO4S/c1-17(28,16(27)26-15-7-3-6-14(9-15)19(23,24)25)11-31(29,30)10-12-4-2-5-13(8-12)18(20,21)22/h2-9,28H,10-11H2,1H3,(H,26,27).
What are the key properties of 2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide?
2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide has a molecular weight of 469.40 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide is sourced from PubChem (CID 3652863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).