2-(4-chlorophenyl)sulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide

C17H17ClFNO2S — CID 55669732

IUPAC2-(4-chlorophenyl)sulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(C)Sc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C17H17ClFNO2S/c1-11(23-14-6-4-13(18)5-7-14)17(21)20-10-12-3-8-16(22-2)15(19)9-12/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyLZKRHYKHEOSXDR-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.28
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide

2-(4-chlorophenyl)sulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide (PubChem CID 55669732) has the molecular formula C17H17ClFNO2S and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide
PubChem CID55669732
Molecular FormulaC17H17ClFNO2S
Molecular Weight353.85 g/mol
Exact Mass353.07
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(C)Sc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C17H17ClFNO2S/c1-11(23-14-6-4-13(18)5-7-14)17(21)20-10-12-3-8-16(22-2)15(19)9-12/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyLZKRHYKHEOSXDR-UHFFFAOYSA-N
XLogP4.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-chlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 26745796
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 46621783
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 6546874
(2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 848333
2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 110779980
2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
CID 110779959
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9042461
(2R)-2-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 99864872
(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 92540065
N-[(2-chlorophenyl)methyl]-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]propanamide
CID 18097398
2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide
CID 133162697
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide
CID 119730114

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide (CID 55669732) is 2-(4-chlorophenyl)sulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)C(C)Sc2ccc(Cl)cc2)cc1F.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide?
The InChIKey is LZKRHYKHEOSXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2S/c1-11(23-14-6-4-13(18)5-7-14)17(21)20-10-12-3-8-16(22-2)15(19)9-12/h3-9,11H,10H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide?
2-(4-chlorophenyl)sulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide has a molecular weight of 353.85 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 55669732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).