N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(4-methylsulfonylphenyl)propanamide

C19H20F3NO4S — CID 91624586

IUPACN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(4-methylsulfonylphenyl)propanamide
SMILESCS(=O)(=O)c1ccc(CCC(=O)NCC(O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H20F3NO4S/c1-28(26,27)16-9-2-13(3-10-16)4-11-18(25)23-12-17(24)14-5-7-15(8-6-14)19(20,21)22/h2-3,5-10,17,24H,4,11-12H2,1H3,(H,23,25)
InChIKeyIHJZEZILUMSWGB-UHFFFAOYSA-N
MW415.43 g/mol
LogP2.89
Rot. Bonds7

About N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(4-methylsulfonylphenyl)propanamide

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(4-methylsulfonylphenyl)propanamide (PubChem CID 91624586) has the molecular formula C19H20F3NO4S and a molecular weight of 415.43 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(4-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(4-methylsulfonylphenyl)propanamide
PubChem CID91624586
Molecular FormulaC19H20F3NO4S
Molecular Weight415.43 g/mol
Exact Mass415.11
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(4-methylsulfonylphenyl)propanamide
SMILESCS(=O)(=O)c1ccc(CCC(=O)NCC(O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H20F3NO4S/c1-28(26,27)16-9-2-13(3-10-16)4-11-18(25)23-12-17(24)14-5-7-15(8-6-14)19(20,21)22/h2-3,5-10,17,24H,4,11-12H2,1H3,(H,23,25)
InChIKeyIHJZEZILUMSWGB-UHFFFAOYSA-N
XLogP2.89
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-(hydroxymethyl)phenyl)-4-(4-(methylsulfonyl)phenyl)-1-propyl-1H-pyrrol-2(5H)-one
CID 25261944
4-ethylsulfonyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 51098754
4-(N,N-dimethylsulfamoyl)-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)benzamide
CID 56765469
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-2-(4-(isopropylsulfonyl)phenyl)acetamide
CID 56765470
Sch 25393
CID 3085939
(2R,3S)-3-benzyl-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-(4-methylphenyl)sulfinylbutanamide
CID 134917517
3-(4-fluorophenyl)-2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]propanamide
CID 135029447
2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-2-phenylacetamide
CID 73021064
N-[(1r,2r)-2-hydroxy-1-hydroxymethyl-2-(4-methylsulphonylphenyl)ethyl]acetamide
CID 129853440
N-{2-[(dimethylamino)sulfonyl]ethyl}-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide
CID 56712924
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-3-phenylpropanamide
CID 56765430
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-3-(phenylthio)propanamide
CID 56765450

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(4-methylsulfonylphenyl)propanamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(4-methylsulfonylphenyl)propanamide (CID 91624586) is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(4-methylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(4-methylsulfonylphenyl)propanamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(4-methylsulfonylphenyl)propanamide is CS(=O)(=O)c1ccc(CCC(=O)NCC(O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(4-methylsulfonylphenyl)propanamide?
The InChIKey is IHJZEZILUMSWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO4S/c1-28(26,27)16-9-2-13(3-10-16)4-11-18(25)23-12-17(24)14-5-7-15(8-6-14)19(20,21)22/h2-3,5-10,17,24H,4,11-12H2,1H3,(H,23,25).
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(4-methylsulfonylphenyl)propanamide?
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(4-methylsulfonylphenyl)propanamide has a molecular weight of 415.43 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(4-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 91624586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).