N-[2-(difluoromethylsulfanyl)phenyl]-3-phenylmethoxypropanamide

C17H17F2NO2S — CID 60546156

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-3-phenylmethoxypropanamide
SMILESO=C(CCOCc1ccccc1)Nc1ccccc1SC(F)F
InChIInChI=1S/C17H17F2NO2S/c18-17(19)23-15-9-5-4-8-14(15)20-16(21)10-11-22-12-13-6-2-1-3-7-13/h1-9,17H,10-12H2,(H,20,21)
InChIKeyUNIWKIKOXYNUMS-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.55
Rot. Bonds8

About N-[2-(difluoromethylsulfanyl)phenyl]-3-phenylmethoxypropanamide

N-[2-(difluoromethylsulfanyl)phenyl]-3-phenylmethoxypropanamide (PubChem CID 60546156) has the molecular formula C17H17F2NO2S and a molecular weight of 337.39 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-3-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-3-phenylmethoxypropanamide
PubChem CID60546156
Molecular FormulaC17H17F2NO2S
Molecular Weight337.39 g/mol
Exact Mass337.09
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-3-phenylmethoxypropanamide
SMILESO=C(CCOCc1ccccc1)Nc1ccccc1SC(F)F
InChIInChI=1S/C17H17F2NO2S/c18-17(19)23-15-9-5-4-8-14(15)20-16(21)10-11-22-12-13-6-2-1-3-7-13/h1-9,17H,10-12H2,(H,20,21)
InChIKeyUNIWKIKOXYNUMS-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
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-phenoxybutanamide
CID 112766444
2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 63678703
N-[2-(difluoromethylsulfanyl)phenyl]-4-(methylamino)butanamide
CID 60842031
N-hydroxy-3-phenylmethoxypropanamide
CID 59082883
3-(2-chlorophenyl)-N-[2-(difluoromethylsulfanyl)phenyl]propanamide
CID 31523997
N-[2-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 25499840
N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 52896199
N-(2-aminophenyl)-3-[(4-chlorophenyl)methoxy]propanamide
CID 65124536
N-[2-(4-ethoxyphenoxy)phenyl]-3-phenylmethoxypropanamide
CID 60546146
N-[2-(difluoromethylsulfanyl)phenyl]-2-(prop-2-enylamino)acetamide
CID 78910823
3-(3-phenylmethoxypropanoylamino)propanoic acid
CID 75417899
2-fluoro-N'-(3-phenylmethoxypropanoyl)prop-2-enehydrazide
CID 167822930

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-3-phenylmethoxypropanamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-3-phenylmethoxypropanamide (CID 60546156) is N-[2-(difluoromethylsulfanyl)phenyl]-3-phenylmethoxypropanamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-3-phenylmethoxypropanamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-3-phenylmethoxypropanamide is O=C(CCOCc1ccccc1)Nc1ccccc1SC(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-3-phenylmethoxypropanamide?
The InChIKey is UNIWKIKOXYNUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2S/c18-17(19)23-15-9-5-4-8-14(15)20-16(21)10-11-22-12-13-6-2-1-3-7-13/h1-9,17H,10-12H2,(H,20,21).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-3-phenylmethoxypropanamide?
N-[2-(difluoromethylsulfanyl)phenyl]-3-phenylmethoxypropanamide has a molecular weight of 337.39 g/mol, XLogP of 4.55, 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]-3-phenylmethoxypropanamide is sourced from PubChem (CID 60546156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).