3-(4-fluorophenoxy)-N-(2-methylsulfanylphenyl)propanamide

C16H16FNO2S — CID 31891666

IUPAC3-(4-fluorophenoxy)-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C16H16FNO2S/c1-21-15-5-3-2-4-14(15)18-16(19)10-11-20-13-8-6-12(17)7-9-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyNKLMCEPGRLXZCW-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.96
Rot. Bonds6

About 3-(4-fluorophenoxy)-N-(2-methylsulfanylphenyl)propanamide

3-(4-fluorophenoxy)-N-(2-methylsulfanylphenyl)propanamide (PubChem CID 31891666) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-(2-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-(2-methylsulfanylphenyl)propanamide
PubChem CID31891666
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name3-(4-fluorophenoxy)-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C16H16FNO2S/c1-21-15-5-3-2-4-14(15)18-16(19)10-11-20-13-8-6-12(17)7-9-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyNKLMCEPGRLXZCW-UHFFFAOYSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenoxy)-N-(2-fluorophenyl)propanamide
CID 38765188
N-(2-ethoxyphenyl)-3-(4-fluorophenoxy)propanamide
CID 31895143
3-(4-fluorophenoxy)-N-(2-propoxyphenyl)propanamide
CID 31997887
N-(2-butoxyphenyl)-3-(4-fluorophenoxy)propanamide
CID 55906665
3-(2-methoxyphenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 78768134
4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
CID 86919949
N-(2,3-dichlorophenyl)-3-(4-fluorophenoxy)propanamide
CID 55581596
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-phenoxybutanamide
CID 38764417
2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)acetamide
CID 7688925
N-(2-fluoro-4-methylphenyl)-3-(4-fluorophenoxy)propanamide
CID 31893094
N-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide
CID 31847881
4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 7928453

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-(2-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-(2-methylsulfanylphenyl)propanamide (CID 31891666) is 3-(4-fluorophenoxy)-N-(2-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-(2-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-(2-methylsulfanylphenyl)propanamide is CSc1ccccc1NC(=O)CCOc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-(2-methylsulfanylphenyl)propanamide?
The InChIKey is NKLMCEPGRLXZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-21-15-5-3-2-4-14(15)18-16(19)10-11-20-13-8-6-12(17)7-9-13/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 3-(4-fluorophenoxy)-N-(2-methylsulfanylphenyl)propanamide?
3-(4-fluorophenoxy)-N-(2-methylsulfanylphenyl)propanamide has a molecular weight of 305.37 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-(2-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 31891666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).