N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide

C16H15F2NOS — CID 2947131

IUPACN-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H15F2NOS/c1-10-3-6-13(7-4-10)21-11(2)16(20)19-15-8-5-12(17)9-14(15)18/h3-9,11H,1-2H3,(H,19,20)
InChIKeyGNPIYCYUYIJGOU-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.39
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide

N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 2947131) has the molecular formula C16H15F2NOS and a molecular weight of 307.37 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID2947131
Molecular FormulaC16H15F2NOS
Molecular Weight307.37 g/mol
Exact Mass307.08
IUPAC NameN-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H15F2NOS/c1-10-3-6-13(7-4-10)21-11(2)16(20)19-15-8-5-12(17)9-14(15)18/h3-9,11H,1-2H3,(H,19,20)
InChIKeyGNPIYCYUYIJGOU-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 887088
(2R)-N-(4-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 9142211
2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 51235630
(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
N-(2-amino-4-fluorophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 43102247
(2S)-N-(4-fluoro-2-methylphenyl)-2-phenylsulfanylpropanamide
CID 8864929
2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)propanamide
CID 46619918
(2S)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 978027
(2S)-N-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8890306
N-(5-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 134008118

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide (CID 2947131) is N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SC(C)C(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is GNPIYCYUYIJGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NOS/c1-10-3-6-13(7-4-10)21-11(2)16(20)19-15-8-5-12(17)9-14(15)18/h3-9,11H,1-2H3,(H,19,20).
What are the key properties of N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide?
N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 307.37 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 2947131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).