N-[4-(difluoromethylsulfanyl)phenyl]pentanamide

C12H15F2NOS — CID 78773616

IUPACN-[4-(difluoromethylsulfanyl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C12H15F2NOS/c1-2-3-4-11(16)15-9-5-7-10(8-6-9)17-12(13)14/h5-8,12H,2-4H2,1H3,(H,15,16)
InChIKeyGDLKMPUVSRWLAI-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.13
Rot. Bonds6

About N-[4-(difluoromethylsulfanyl)phenyl]pentanamide

N-[4-(difluoromethylsulfanyl)phenyl]pentanamide (PubChem CID 78773616) has the molecular formula C12H15F2NOS and a molecular weight of 259.32 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]pentanamide
PubChem CID78773616
Molecular FormulaC12H15F2NOS
Molecular Weight259.32 g/mol
Exact Mass259.08
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C12H15F2NOS/c1-2-3-4-11(16)15-9-5-7-10(8-6-9)17-12(13)14/h5-8,12H,2-4H2,1H3,(H,15,16)
InChIKeyGDLKMPUVSRWLAI-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]pentanamide
CID 43440240
N,N'-bis[4-(difluoromethylsulfanyl)phenyl]-2-hexadecylpropanediamide
CID 21203392
N-[4-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 112759140
N-(4-methylphenyl)pentanamide
CID 3662375
N-[4-(methylamino)phenyl]pentanamide
CID 71040406
N-[4-(difluoromethylsulfanyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 51082840
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
2-[[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide
CID 18083018
N-[4-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide
CID 19629753
N-[4-[1-oxo-1-(N-phenylanilino)butan-2-yl]sulfanylphenyl]pentanamide
CID 22782008
N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 8701315
N-[4-[2-(4-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 22782891

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]pentanamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]pentanamide (CID 78773616) is N-[4-(difluoromethylsulfanyl)phenyl]pentanamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]pentanamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]pentanamide is CCCCC(=O)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]pentanamide?
The InChIKey is GDLKMPUVSRWLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NOS/c1-2-3-4-11(16)15-9-5-7-10(8-6-9)17-12(13)14/h5-8,12H,2-4H2,1H3,(H,15,16).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]pentanamide?
N-[4-(difluoromethylsulfanyl)phenyl]pentanamide has a molecular weight of 259.32 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]pentanamide is sourced from PubChem (CID 78773616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).