(2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide

C16H16FNO2S — CID 7893786

IUPAC(2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide
SMILESCSc1ccc(O[C@H](C)C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO2S/c1-11(20-14-7-9-15(21-2)10-8-14)16(19)18-13-5-3-12(17)4-6-13/h3-11H,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyBITIZYYZDDHSDB-LLVKDONJSA-N
MW305.37 g/mol
LogP3.95
Rot. Bonds5

About (2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide

(2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide (PubChem CID 7893786) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is (2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide
PubChem CID7893786
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name(2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide
SMILESCSc1ccc(O[C@H](C)C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO2S/c1-11(20-14-7-9-15(21-2)10-8-14)16(19)18-13-5-3-12(17)4-6-13/h3-11H,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyBITIZYYZDDHSDB-LLVKDONJSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-methoxyphenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 25435383
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601
methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate
CID 2934711
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931427
N-(5-fluoro-2-methylphenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 86918507
(2S)-N-(4-ethylsulfonylphenyl)-2-(4-fluorophenoxy)propanamide
CID 42022358
4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide
CID 7709738
4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 8884358
N-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 21173898

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide?
The IUPAC name of (2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide (CID 7893786) is (2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide is CSc1ccc(O[C@H](C)C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of (2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide?
The InChIKey is BITIZYYZDDHSDB-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-11(20-14-7-9-15(21-2)10-8-14)16(19)18-13-5-3-12(17)4-6-13/h3-11H,1-2H3,(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide?
(2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide has a molecular weight of 305.37 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide is sourced from PubChem (CID 7893786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).