3-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide

C17H15F4NOS — CID 144981955

IUPAC3-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(CSc1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15F4NOS/c1-11(10-24-15-7-5-13(18)6-8-15)16(23)22-14-4-2-3-12(9-14)17(19,20)21/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyAJHNEPRHUIZZTL-UHFFFAOYSA-N
MW357.37 g/mol
LogP5.21
Rot. Bonds5

About 3-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide

3-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 144981955) has the molecular formula C17H15F4NOS and a molecular weight of 357.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID144981955
Molecular FormulaC17H15F4NOS
Molecular Weight357.37 g/mol
Exact Mass357.08
IUPAC Name3-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(CSc1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15F4NOS/c1-11(10-24-15-7-5-13(18)6-8-15)16(23)22-14-4-2-3-12(9-14)17(19,20)21/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyAJHNEPRHUIZZTL-UHFFFAOYSA-N
XLogP5.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.37
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide
CID 23134401
3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 62853406
3-(4-fluorophenyl)sulfanyl-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
CID 143036883
[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-(4-fluorophenyl)acetate
CID 8613311
(2S)-N-(4-fluorophenyl)-2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]hex-5-enamide
CID 166896952
2-methyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 91572023
(2S)-2-(4-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 28578484
2-methyl-3-sulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 167244697
(2S)-2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 22690700
2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 19712375
2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide
CID 78776683
2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide
CID 24706834

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide (CID 144981955) is 3-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide is CC(CSc1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is AJHNEPRHUIZZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4NOS/c1-11(10-24-15-7-5-13(18)6-8-15)16(23)22-14-4-2-3-12(9-14)17(19,20)21/h2-9,11H,10H2,1H3,(H,22,23).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
3-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 357.37 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 144981955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).