3-(4-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide

C16H13F4NO2S — CID 7957157

IUPAC3-(4-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CCSc1ccc(F)cc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H13F4NO2S/c17-11-1-7-14(8-2-11)24-10-9-15(22)21-12-3-5-13(6-4-12)23-16(18,19)20/h1-8H,9-10H2,(H,21,22)
InChIKeyWJHHCYXXIPBQGZ-UHFFFAOYSA-N
MW359.34 g/mol
LogP4.85
Rot. Bonds6

About 3-(4-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide

3-(4-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 7957157) has the molecular formula C16H13F4NO2S and a molecular weight of 359.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID7957157
Molecular FormulaC16H13F4NO2S
Molecular Weight359.34 g/mol
Exact Mass359.06
IUPAC Name3-(4-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CCSc1ccc(F)cc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H13F4NO2S/c17-11-1-7-14(8-2-11)24-10-9-15(22)21-12-3-5-13(6-4-12)23-16(18,19)20/h1-8H,9-10H2,(H,21,22)
InChIKeyWJHHCYXXIPBQGZ-UHFFFAOYSA-N
XLogP4.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 7941129
3-(2-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 16567888
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546484
N-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 30898777
N-(4-fluorophenyl)-3-(4-nitrophenyl)sulfanylpropanamide
CID 926005
4-(4-methylsulfanylphenyl)-4-oxo-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 31541809
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29166416
2-(4-fluorophenyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38033659
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546514
N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide
CID 41086197
N-(3-amino-4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 29034872
5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 79198633

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 7957157) is 3-(4-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide is O=C(CCSc1ccc(F)cc1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is WJHHCYXXIPBQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO2S/c17-11-1-7-14(8-2-11)24-10-9-15(22)21-12-3-5-13(6-4-12)23-16(18,19)20/h1-8H,9-10H2,(H,21,22).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide?
3-(4-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 359.34 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 7957157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).