2-[[2,2,2-trifluoro-1-[4-(4-methylsulfanylphenyl)phenyl]ethyl]amino]propanamide

C18H19F3N2OS — CID 69205043

IUPAC2-[[2,2,2-trifluoro-1-[4-(4-methylsulfanylphenyl)phenyl]ethyl]amino]propanamide
SMILESCSc1ccc(-c2ccc(C(NC(C)C(N)=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H19F3N2OS/c1-11(17(22)24)23-16(18(19,20)21)14-5-3-12(4-6-14)13-7-9-15(25-2)10-8-13/h3-11,16,23H,1-2H3,(H2,22,24)
InChIKeyLLJVMZJDSVZNRA-UHFFFAOYSA-N
MW368.42 g/mol
LogP4.14
Rot. Bonds6

About 2-[[2,2,2-trifluoro-1-[4-(4-methylsulfanylphenyl)phenyl]ethyl]amino]propanamide

2-[[2,2,2-trifluoro-1-[4-(4-methylsulfanylphenyl)phenyl]ethyl]amino]propanamide (PubChem CID 69205043) has the molecular formula C18H19F3N2OS and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-[[2,2,2-trifluoro-1-[4-(4-methylsulfanylphenyl)phenyl]ethyl]amino]propanamide.

Molecular Properties

Compound Name2-[[2,2,2-trifluoro-1-[4-(4-methylsulfanylphenyl)phenyl]ethyl]amino]propanamide
PubChem CID69205043
Molecular FormulaC18H19F3N2OS
Molecular Weight368.42 g/mol
Exact Mass368.12
IUPAC Name2-[[2,2,2-trifluoro-1-[4-(4-methylsulfanylphenyl)phenyl]ethyl]amino]propanamide
SMILESCSc1ccc(-c2ccc(C(NC(C)C(N)=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H19F3N2OS/c1-11(17(22)24)23-16(18(19,20)21)14-5-3-12(4-6-14)13-7-9-15(25-2)10-8-13/h3-11,16,23H,1-2H3,(H2,22,24)
InChIKeyLLJVMZJDSVZNRA-UHFFFAOYSA-N
XLogP4.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,2,2-trifluoro-1-[4-(4-methylsulfanylphenyl)phenyl]ethyl]amino]propanamide?
The IUPAC name of 2-[[2,2,2-trifluoro-1-[4-(4-methylsulfanylphenyl)phenyl]ethyl]amino]propanamide (CID 69205043) is 2-[[2,2,2-trifluoro-1-[4-(4-methylsulfanylphenyl)phenyl]ethyl]amino]propanamide.
What is the SMILES notation for 2-[[2,2,2-trifluoro-1-[4-(4-methylsulfanylphenyl)phenyl]ethyl]amino]propanamide?
The canonical SMILES for 2-[[2,2,2-trifluoro-1-[4-(4-methylsulfanylphenyl)phenyl]ethyl]amino]propanamide is CSc1ccc(-c2ccc(C(NC(C)C(N)=O)C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-[[2,2,2-trifluoro-1-[4-(4-methylsulfanylphenyl)phenyl]ethyl]amino]propanamide?
The InChIKey is LLJVMZJDSVZNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2OS/c1-11(17(22)24)23-16(18(19,20)21)14-5-3-12(4-6-14)13-7-9-15(25-2)10-8-13/h3-11,16,23H,1-2H3,(H2,22,24).
What are the key properties of 2-[[2,2,2-trifluoro-1-[4-(4-methylsulfanylphenyl)phenyl]ethyl]amino]propanamide?
2-[[2,2,2-trifluoro-1-[4-(4-methylsulfanylphenyl)phenyl]ethyl]amino]propanamide has a molecular weight of 368.42 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2,2-trifluoro-1-[4-(4-methylsulfanylphenyl)phenyl]ethyl]amino]propanamide is sourced from PubChem (CID 69205043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).