N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

C20H22F3NO4S — CID 95368231

IUPACN-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H22F3NO4S/c1-13(2)29(27,28)17-9-3-14(4-10-17)11-19(26)24-12-18(25)15-5-7-16(8-6-15)20(21,22)23/h3-10,13,18,25H,11-12H2,1-2H3,(H,24,26)/t18-/m0/s1
InChIKeyHGPXGRVZHACACF-SFHVURJKSA-N
MW429.46 g/mol
LogP3.28
Rot. Bonds7

About N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 95368231) has the molecular formula C20H22F3NO4S and a molecular weight of 429.46 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID95368231
Molecular FormulaC20H22F3NO4S
Molecular Weight429.46 g/mol
Exact Mass429.12
IUPAC NameN-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H22F3NO4S/c1-13(2)29(27,28)17-9-3-14(4-10-17)11-19(26)24-12-18(25)15-5-7-16(8-6-15)20(21,22)23/h3-10,13,18,25H,11-12H2,1-2H3,(H,24,26)/t18-/m0/s1
InChIKeyHGPXGRVZHACACF-SFHVURJKSA-N
XLogP3.28
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 53.28
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
2-(4-ethylsulfonylphenyl)-1-[(3R)-3-(4-fluorophenyl)sulfonyl-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrrolidin-1-yl]ethanone
CID 118217560
US11078186, Example 138
CID 153313947
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
N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)-2-(4-(isopropylsulfonyl)phenyl)acetamide
CID 71781696
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
N-(2-hydroxy-2-phenylpropyl)-2-(4-(isopropylthio)phenyl)acetamide
CID 56765368
2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-2-phenylacetamide
CID 73021064
N-{2-[(dimethylamino)sulfonyl]ethyl}-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide
CID 56712924

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 95368231) is N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is CC(C)S(=O)(=O)c1ccc(CC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is HGPXGRVZHACACF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22F3NO4S/c1-13(2)29(27,28)17-9-3-14(4-10-17)11-19(26)24-12-18(25)15-5-7-16(8-6-15)20(21,22)23/h3-10,13,18,25H,11-12H2,1-2H3,(H,24,26)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 429.46 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 95368231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).