2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide

C17H16F2N2O2S — CID 51235630

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H16F2N2O2S/c1-10(17(23)21-16-8-3-12(18)9-15(16)19)24-14-6-4-13(5-7-14)20-11(2)22/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyWSPSGENOTQYESX-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.04
Rot. Bonds5

About 2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide

2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide (PubChem CID 51235630) has the molecular formula C17H16F2N2O2S and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
PubChem CID51235630
Molecular FormulaC17H16F2N2O2S
Molecular Weight350.39 g/mol
Exact Mass350.09
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H16F2N2O2S/c1-10(17(23)21-16-8-3-12(18)9-15(16)19)24-14-6-4-13(5-7-14)20-11(2)22/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyWSPSGENOTQYESX-UHFFFAOYSA-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

2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)propanamide
CID 51235628
N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2947131
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 887088
(2R)-N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 9063439
(2R)-N-(2,4-difluorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 8975147
(2R)-N-(2,5-difluorophenyl)-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 94157785
(2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9055622
N-(2-amino-4-fluorophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 43102247
(2R)-N-(4-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 9142211
2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)propanamide
CID 46619918
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 8948623

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide (CID 51235630) is 2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide is CC(=O)Nc1ccc(SC(C)C(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide?
The InChIKey is WSPSGENOTQYESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2S/c1-10(17(23)21-16-8-3-12(18)9-15(16)19)24-14-6-4-13(5-7-14)20-11(2)22/h3-10H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide?
2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide 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 2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 51235630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).