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

C17H17F2NO2S — CID 112766444

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)Nc1ccccc1SC(F)F
InChIInChI=1S/C17H17F2NO2S/c18-17(19)23-15-10-5-4-9-14(15)20-16(21)11-6-12-22-13-7-2-1-3-8-13/h1-5,7-10,17H,6,11-12H2,(H,20,21)
InChIKeyCICNKMJFLKKWRZ-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.80
Rot. Bonds8

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

N-[2-(difluoromethylsulfanyl)phenyl]-4-phenoxybutanamide (PubChem CID 112766444) has the molecular formula C17H17F2NO2S and a molecular weight of 337.39 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-4-phenoxybutanamide
PubChem CID112766444
Molecular FormulaC17H17F2NO2S
Molecular Weight337.39 g/mol
Exact Mass337.09
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)Nc1ccccc1SC(F)F
InChIInChI=1S/C17H17F2NO2S/c18-17(19)23-15-10-5-4-9-14(15)20-16(21)11-6-12-22-13-7-2-1-3-8-13/h1-5,7-10,17H,6,11-12H2,(H,20,21)
InChIKeyCICNKMJFLKKWRZ-UHFFFAOYSA-N
XLogP4.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(difluoromethylsulfanyl)phenyl]-4-(methylamino)butanamide
CID 60842031
N-[2-(difluoromethylsulfanyl)phenyl]-3-phenylmethoxypropanamide
CID 60546156
N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide
CID 82034361
2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 63678703
N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide
CID 17131186
4-(4-chlorophenoxy)-N-(2-ethylsulfanylphenyl)butanamide
CID 46778135
N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 87029705
N,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide
CID 17130993
N-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide
CID 112793225
3-(4-fluorophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 31891666
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-phenoxybutanamide
CID 38764417
2-[4-(4-cyanophenyl)phenoxy]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 16595652

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-4-phenoxybutanamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-4-phenoxybutanamide (CID 112766444) is N-[2-(difluoromethylsulfanyl)phenyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-4-phenoxybutanamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-4-phenoxybutanamide is O=C(CCCOc1ccccc1)Nc1ccccc1SC(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-4-phenoxybutanamide?
The InChIKey is CICNKMJFLKKWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2S/c18-17(19)23-15-10-5-4-9-14(15)20-16(21)11-6-12-22-13-7-2-1-3-8-13/h1-5,7-10,17H,6,11-12H2,(H,20,21).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-4-phenoxybutanamide?
N-[2-(difluoromethylsulfanyl)phenyl]-4-phenoxybutanamide has a molecular weight of 337.39 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-4-phenoxybutanamide is sourced from PubChem (CID 112766444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).