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

C20H22F3NO2S — CID 95368215

IUPACN-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCC(C)Sc1ccc(CC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H22F3NO2S/c1-13(2)27-17-9-3-14(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
InChIKeyOVLROPMMIXSQDV-SFHVURJKSA-N
MW397.46 g/mol
LogP4.60
Rot. Bonds7

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

N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide (PubChem CID 95368215) has the molecular formula C20H22F3NO2S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
PubChem CID95368215
Molecular FormulaC20H22F3NO2S
Molecular Weight397.46 g/mol
Exact Mass397.13
IUPAC NameN-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCC(C)Sc1ccc(CC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H22F3NO2S/c1-13(2)27-17-9-3-14(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
InChIKeyOVLROPMMIXSQDV-SFHVURJKSA-N
XLogP4.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide (CID 95368215) is N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide is CC(C)Sc1ccc(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-ylsulfanylphenyl)acetamide?
The InChIKey is OVLROPMMIXSQDV-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22F3NO2S/c1-13(2)27-17-9-3-14(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-ylsulfanylphenyl)acetamide?
N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide has a molecular weight of 397.46 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 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-ylsulfanylphenyl)acetamide is sourced from PubChem (CID 95368215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).