(2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide

C16H15F2NO2S — CID 9046467

IUPAC(2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@@H](C)Sc1ccc(F)cc1F
InChIInChI=1S/C16H15F2NO2S/c1-10(22-15-8-7-11(17)9-12(15)18)16(20)19-13-5-3-4-6-14(13)21-2/h3-10H,1-2H3,(H,19,20)/t10-/m1/s1
InChIKeyVUEUYTCATPQGHE-SNVBAGLBSA-N
MW323.36 g/mol
LogP4.09
Rot. Bonds5

About (2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide

(2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide (PubChem CID 9046467) has the molecular formula C16H15F2NO2S and a molecular weight of 323.36 g/mol. Its IUPAC name is (2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
PubChem CID9046467
Molecular FormulaC16H15F2NO2S
Molecular Weight323.36 g/mol
Exact Mass323.08
IUPAC Name(2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@@H](C)Sc1ccc(F)cc1F
InChIInChI=1S/C16H15F2NO2S/c1-10(22-15-8-7-11(17)9-12(15)18)16(20)19-13-5-3-4-6-14(13)21-2/h3-10H,1-2H3,(H,19,20)/t10-/m1/s1
InChIKeyVUEUYTCATPQGHE-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)-N-(2,4-difluorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 8975147
N-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 55387332
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 28632787
(2R)-2-(2,5-difluorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 8870293
(2S)-2-(2,4-difluorophenyl)sulfanyl-N-(3-fluorophenyl)propanamide
CID 8975115
(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 2635570
(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide
CID 9274019
N-(2-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide
CID 61298351
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 16514508
(2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 9046235
2-(2,4-difluorophenyl)sulfanyl-N-(9,10-dioxoanthracen-2-yl)propanamide
CID 60597843
2-(2-aminoethylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 82179913

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide?
The IUPAC name of (2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide (CID 9046467) is (2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)[C@@H](C)Sc1ccc(F)cc1F.
What is the InChIKey of (2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide?
The InChIKey is VUEUYTCATPQGHE-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15F2NO2S/c1-10(22-15-8-7-11(17)9-12(15)18)16(20)19-13-5-3-4-6-14(13)21-2/h3-10H,1-2H3,(H,19,20)/t10-/m1/s1.
What are the key properties of (2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide?
(2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide 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)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 9046467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).