N-(5-fluoro-2-methylphenyl)-2-(4-methylsulfanylphenoxy)propanamide

C17H18FNO2S — CID 86918507

IUPACN-(5-fluoro-2-methylphenyl)-2-(4-methylsulfanylphenoxy)propanamide
SMILESCSc1ccc(OC(C)C(=O)Nc2cc(F)ccc2C)cc1
InChIInChI=1S/C17H18FNO2S/c1-11-4-5-13(18)10-16(11)19-17(20)12(2)21-14-6-8-15(22-3)9-7-14/h4-10,12H,1-3H3,(H,19,20)
InChIKeyNSIXIVRYGXSAGT-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.26
Rot. Bonds5

About N-(5-fluoro-2-methylphenyl)-2-(4-methylsulfanylphenoxy)propanamide

N-(5-fluoro-2-methylphenyl)-2-(4-methylsulfanylphenoxy)propanamide (PubChem CID 86918507) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-(4-methylsulfanylphenoxy)propanamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-(4-methylsulfanylphenoxy)propanamide
PubChem CID86918507
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-(4-methylsulfanylphenoxy)propanamide
SMILESCSc1ccc(OC(C)C(=O)Nc2cc(F)ccc2C)cc1
InChIInChI=1S/C17H18FNO2S/c1-11-4-5-13(18)10-16(11)19-17(20)12(2)21-14-6-8-15(22-3)9-7-14/h4-10,12H,1-3H3,(H,19,20)
InChIKeyNSIXIVRYGXSAGT-UHFFFAOYSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 9097735
(2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 7893786
(2R)-2-(4-fluorophenoxy)-N-(2-methylphenyl)propanamide
CID 7946714
(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7751068
2-(4-bromophenoxy)-N-(2,5-difluorophenyl)propanamide
CID 18084146
N-(5-acetamido-2-methylphenyl)-2-(3-fluorophenoxy)propanamide
CID 86986176
N-(4-hydroxy-2-iodophenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 119035409
(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 719385
2-(4-tert-butylphenoxy)-N-(2,5-difluorophenyl)propanamide
CID 43024778
N-(4-amino-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 16786087
2-(3,4-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 53286343
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 837813

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-(4-methylsulfanylphenoxy)propanamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-(4-methylsulfanylphenoxy)propanamide (CID 86918507) is N-(5-fluoro-2-methylphenyl)-2-(4-methylsulfanylphenoxy)propanamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-(4-methylsulfanylphenoxy)propanamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-(4-methylsulfanylphenoxy)propanamide is CSc1ccc(OC(C)C(=O)Nc2cc(F)ccc2C)cc1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-(4-methylsulfanylphenoxy)propanamide?
The InChIKey is NSIXIVRYGXSAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-11-4-5-13(18)10-16(11)19-17(20)12(2)21-14-6-8-15(22-3)9-7-14/h4-10,12H,1-3H3,(H,19,20).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-(4-methylsulfanylphenoxy)propanamide?
N-(5-fluoro-2-methylphenyl)-2-(4-methylsulfanylphenoxy)propanamide has a molecular weight of 319.40 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-(4-methylsulfanylphenoxy)propanamide is sourced from PubChem (CID 86918507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).