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

C18H18F3NO2S — CID 56765450

IUPACN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO2S/c19-18(20,21)14-8-6-13(7-9-14)16(23)12-22-17(24)10-11-25-15-4-2-1-3-5-15/h1-9,16,23H,10-12H2,(H,22,24)
InChIKeyUYMUGXUEEPCQGU-UHFFFAOYSA-N
MW369.41 g/mol
LogP4.04
Rot. Bonds7

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

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylsulfanylpropanamide (PubChem CID 56765450) has the molecular formula C18H18F3NO2S and a molecular weight of 369.41 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylsulfanylpropanamide
PubChem CID56765450
Molecular FormulaC18H18F3NO2S
Molecular Weight369.41 g/mol
Exact Mass369.10
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO2S/c19-18(20,21)14-8-6-13(7-9-14)16(23)12-22-17(24)10-11-25-15-4-2-1-3-5-15/h1-9,16,23H,10-12H2,(H,22,24)
InChIKeyUYMUGXUEEPCQGU-UHFFFAOYSA-N
XLogP4.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylsulfanylpropanamide (CID 56765450) is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylsulfanylpropanamide?
The InChIKey is UYMUGXUEEPCQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2S/c19-18(20,21)14-8-6-13(7-9-14)16(23)12-22-17(24)10-11-25-15-4-2-1-3-5-15/h1-9,16,23H,10-12H2,(H,22,24).
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylsulfanylpropanamide?
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylsulfanylpropanamide has a molecular weight of 369.41 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 56765450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).