(2R)-N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide

C16H15F2NO2S — CID 9063439

IUPAC(2R)-N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(S[C@H](C)C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H15F2NO2S/c1-10(22-13-6-4-12(21-2)5-7-13)16(20)19-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3,(H,19,20)/t10-/m1/s1
InChIKeyZZWTYMVFKQLOJU-SNVBAGLBSA-N
MW323.36 g/mol
LogP4.09
Rot. Bonds5

About (2R)-N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide

(2R)-N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 9063439) has the molecular formula C16H15F2NO2S and a molecular weight of 323.36 g/mol. Its IUPAC name is (2R)-N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID9063439
Molecular FormulaC16H15F2NO2S
Molecular Weight323.36 g/mol
Exact Mass323.08
IUPAC Name(2R)-N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(S[C@H](C)C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H15F2NO2S/c1-10(22-13-6-4-12(21-2)5-7-13)16(20)19-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3,(H,19,20)/t10-/m1/s1
InChIKeyZZWTYMVFKQLOJU-SNVBAGLBSA-N
XLogP4.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 887088
N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2947131
2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 51235630
(2R)-N-(2,4-difluorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 8975147
(2R)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 32676805
N-(2,4-difluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46625433
N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43906041
(2R)-N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 26373927
(2R)-N-(2,5-difluorophenyl)-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 94157785
N-(2,4-difluorophenyl)-2-[[5-[1-(4-methoxyphenoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 43884320
(2R)-N-(2,4-difluorophenyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8934644
N-(2-amino-4-fluorophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 43102247

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide (CID 9063439) is (2R)-N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(S[C@H](C)C(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of (2R)-N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is ZZWTYMVFKQLOJU-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15F2NO2S/c1-10(22-13-6-4-12(21-2)5-7-13)16(20)19-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3,(H,19,20)/t10-/m1/s1.
What are the key properties of (2R)-N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
(2R)-N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 323.36 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 9063439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).