N-[4-(difluoromethylsulfanyl)phenyl]-2-phenoxypropanamide

C16H15F2NO2S — CID 43011433

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C16H15F2NO2S/c1-11(21-13-5-3-2-4-6-13)15(20)19-12-7-9-14(10-8-12)22-16(17)18/h2-11,16H,1H3,(H,19,20)
InChIKeyIVDKJYWJPRLNRW-UHFFFAOYSA-N
MW323.36 g/mol
LogP4.41
Rot. Bonds6

About N-[4-(difluoromethylsulfanyl)phenyl]-2-phenoxypropanamide

N-[4-(difluoromethylsulfanyl)phenyl]-2-phenoxypropanamide (PubChem CID 43011433) has the molecular formula C16H15F2NO2S and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-phenoxypropanamide
PubChem CID43011433
Molecular FormulaC16H15F2NO2S
Molecular Weight323.36 g/mol
Exact Mass323.08
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C16H15F2NO2S/c1-11(21-13-5-3-2-4-6-13)15(20)19-12-7-9-14(10-8-12)22-16(17)18/h2-11,16H,1H3,(H,19,20)
InChIKeyIVDKJYWJPRLNRW-UHFFFAOYSA-N
XLogP4.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(difluoromethylsulfanyl)phenyl]-2-phenoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[(2R)-1-[4-(difluoromethylsulfanyl)anilino]-1-oxopropan-2-yl]oxybenzoate
CID 8639929
2-(4-cyanophenoxy)-N-[4-(difluoromethylsulfanyl)phenyl]propanamide
CID 78773604
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
CID 40976571
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid
CID 1365740
(2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 934380
(2S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methyl-4-nitrophenoxy)propanamide
CID 9384202
(2R)-2-phenoxy-N-[4-[4-[[(2R)-2-phenoxypropanoyl]amino]phenyl]sulfinylphenyl]propanamide
CID 1352725
(2S)-2-phenoxy-N-pyridin-4-ylpropanamide
CID 670007
4-[4-(difluoromethylsulfanyl)anilino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496914
(2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 7893786

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-phenoxypropanamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-phenoxypropanamide (CID 43011433) is N-[4-(difluoromethylsulfanyl)phenyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-phenoxypropanamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-phenoxypropanamide?
The InChIKey is IVDKJYWJPRLNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2S/c1-11(21-13-5-3-2-4-6-13)15(20)19-12-7-9-14(10-8-12)22-16(17)18/h2-11,16H,1H3,(H,19,20).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-phenoxypropanamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-phenoxypropanamide has a molecular weight of 323.36 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 43011433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).