(2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide

C17H16F2N2O2S — CID 9055622

IUPAC(2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H16F2N2O2S/c1-10(24-14-7-8-15(18)16(19)9-14)17(23)21-13-5-3-12(4-6-13)20-11(2)22/h3-10H,1-2H3,(H,20,22)(H,21,23)/t10-/m0/s1
InChIKeyVOVNZLYONGCFPX-JTQLQIEISA-N
MW350.39 g/mol
LogP4.04
Rot. Bonds5

About (2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide

(2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide (PubChem CID 9055622) has the molecular formula C17H16F2N2O2S and a molecular weight of 350.39 g/mol. Its IUPAC name is (2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
PubChem CID9055622
Molecular FormulaC17H16F2N2O2S
Molecular Weight350.39 g/mol
Exact Mass350.09
IUPAC Name(2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H16F2N2O2S/c1-10(24-14-7-8-15(18)16(19)9-14)17(23)21-13-5-3-12(4-6-13)20-11(2)22/h3-10H,1-2H3,(H,20,22)(H,21,23)/t10-/m0/s1
InChIKeyVOVNZLYONGCFPX-JTQLQIEISA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 24500478
2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide
CID 47114263
(2R)-2-(3,4-difluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 7737171
2-(3,4-difluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 55387447
2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)propanamide
CID 51235628
(2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide
CID 970786
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9310323
(2R)-N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 26373927
2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 51235630
(2S)-2-(3,4-difluorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 7737187
(2R)-2-(3,4-difluorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 7737186

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide (CID 9055622) is (2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide is CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2ccc(F)c(F)c2)cc1.
What is the InChIKey of (2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide?
The InChIKey is VOVNZLYONGCFPX-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16F2N2O2S/c1-10(24-14-7-8-15(18)16(19)9-14)17(23)21-13-5-3-12(4-6-13)20-11(2)22/h3-10H,1-2H3,(H,20,22)(H,21,23)/t10-/m0/s1.
What are the key properties of (2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide?
(2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide has a molecular weight of 350.39 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 9055622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).