3-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)propanamide

C18H20FNO2S — CID 51275993

IUPAC3-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCSc2ccccc2)cc1F
InChIInChI=1S/C18H20FNO2S/c1-22-17-9-7-14(13-16(17)19)8-10-18(21)20-11-12-23-15-5-3-2-4-6-15/h2-7,9,13H,8,10-12H2,1H3,(H,20,21)
InChIKeyVSYRXTGSUFPXGS-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.68
Rot. Bonds8

About 3-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)propanamide

3-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)propanamide (PubChem CID 51275993) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)propanamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)propanamide
PubChem CID51275993
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCSc2ccccc2)cc1F
InChIInChI=1S/C18H20FNO2S/c1-22-17-9-7-14(13-16(17)19)8-10-18(21)20-11-12-23-15-5-3-2-4-6-15/h2-7,9,13H,8,10-12H2,1H3,(H,20,21)
InChIKeyVSYRXTGSUFPXGS-UHFFFAOYSA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667587
3-(3,4-diethoxyphenyl)-N-(2-phenylsulfanylethyl)propanamide
CID 38006736
3-fluoro-4-methoxy-N-(2-phenylsulfanylethyl)benzamide
CID 9483134
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-N-(2-phenylethyl)hexanediamide
CID 21282395
N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119405460
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318444
3-(3-fluoro-4-methoxyphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430182
3-(4-aminophenyl)-N-(2-phenylsulfanylethyl)propanamide
CID 61117437
3-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]-2,2-dimethylpropanoic acid
CID 119249807
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 7843710
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51315396
2-[2-[[3-(3-fluoro-4-methoxyphenyl)propanoylamino]methyl]phenoxy]acetic acid
CID 75429383

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)propanamide?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)propanamide (CID 51275993) is 3-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)propanamide.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)propanamide?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)propanamide is COc1ccc(CCC(=O)NCCSc2ccccc2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)propanamide?
The InChIKey is VSYRXTGSUFPXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-22-17-9-7-14(13-16(17)19)8-10-18(21)20-11-12-23-15-5-3-2-4-6-15/h2-7,9,13H,8,10-12H2,1H3,(H,20,21).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)propanamide?
3-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)propanamide has a molecular weight of 333.43 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)propanamide is sourced from PubChem (CID 51275993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).