3-(3-fluorophenyl)-N-(4-methylsulfanylphenyl)propanamide

C16H16FNOS — CID 36590991

IUPAC3-(3-fluorophenyl)-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)CCc2cccc(F)c2)cc1
InChIInChI=1S/C16H16FNOS/c1-20-15-8-6-14(7-9-15)18-16(19)10-5-12-3-2-4-13(17)11-12/h2-4,6-9,11H,5,10H2,1H3,(H,18,19)
InChIKeyPVKTZEXMNDMYEG-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.12
Rot. Bonds5

About 3-(3-fluorophenyl)-N-(4-methylsulfanylphenyl)propanamide

3-(3-fluorophenyl)-N-(4-methylsulfanylphenyl)propanamide (PubChem CID 36590991) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(4-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(4-methylsulfanylphenyl)propanamide
PubChem CID36590991
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC Name3-(3-fluorophenyl)-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)CCc2cccc(F)c2)cc1
InChIInChI=1S/C16H16FNOS/c1-20-15-8-6-14(7-9-15)18-16(19)10-5-12-3-2-4-13(17)11-12/h2-4,6-9,11H,5,10H2,1H3,(H,18,19)
InChIKeyPVKTZEXMNDMYEG-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-3-(3-fluorophenyl)propanamide
CID 41483845
N-[4-[3-(3-fluorophenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 33036873
tert-butyl N-[2-[4-[3-(3-fluorophenyl)propanoylamino]anilino]-2-oxoethyl]carbamate
CID 108917037
1-[(3-fluorophenyl)methyl]-1-methyl-3-(4-methylsulfanylphenyl)urea
CID 86988074
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-fluorophenyl)propanamide
CID 34433022
tert-butyl N-[2-fluoro-5-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamate
CID 78885273
[3-[[4-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate
CID 108927732
3-(3-bromophenyl)-N-(3-methylsulfanylphenyl)propanamide
CID 43011243
3-(2-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 42370206
3-(3-fluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 110777102
3-(2-bromophenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 47267332
3-(2-aminophenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 107272723

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(4-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(4-methylsulfanylphenyl)propanamide (CID 36590991) is 3-(3-fluorophenyl)-N-(4-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(4-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(4-methylsulfanylphenyl)propanamide is CSc1ccc(NC(=O)CCc2cccc(F)c2)cc1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(4-methylsulfanylphenyl)propanamide?
The InChIKey is PVKTZEXMNDMYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-20-15-8-6-14(7-9-15)18-16(19)10-5-12-3-2-4-13(17)11-12/h2-4,6-9,11H,5,10H2,1H3,(H,18,19).
What are the key properties of 3-(3-fluorophenyl)-N-(4-methylsulfanylphenyl)propanamide?
3-(3-fluorophenyl)-N-(4-methylsulfanylphenyl)propanamide has a molecular weight of 289.38 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(4-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 36590991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).