N-(2,4-difluorophenyl)-4-(2-phenylsulfanylethoxy)benzamide

C21H17F2NO2S — CID 30392683

IUPACN-(2,4-difluorophenyl)-4-(2-phenylsulfanylethoxy)benzamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(OCCSc2ccccc2)cc1
InChIInChI=1S/C21H17F2NO2S/c22-16-8-11-20(19(23)14-16)24-21(25)15-6-9-17(10-7-15)26-12-13-27-18-4-2-1-3-5-18/h1-11,14H,12-13H2,(H,24,25)
InChIKeyATDUGPPUMXRULB-UHFFFAOYSA-N
MW385.44 g/mol
LogP5.39
Rot. Bonds7

About N-(2,4-difluorophenyl)-4-(2-phenylsulfanylethoxy)benzamide

N-(2,4-difluorophenyl)-4-(2-phenylsulfanylethoxy)benzamide (PubChem CID 30392683) has the molecular formula C21H17F2NO2S and a molecular weight of 385.44 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(2-phenylsulfanylethoxy)benzamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(2-phenylsulfanylethoxy)benzamide
PubChem CID30392683
Molecular FormulaC21H17F2NO2S
Molecular Weight385.44 g/mol
Exact Mass385.09
IUPAC NameN-(2,4-difluorophenyl)-4-(2-phenylsulfanylethoxy)benzamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(OCCSc2ccccc2)cc1
InChIInChI=1S/C21H17F2NO2S/c22-16-8-11-20(19(23)14-16)24-21(25)15-6-9-17(10-7-15)26-12-13-27-18-4-2-1-3-5-18/h1-11,14H,12-13H2,(H,24,25)
InChIKeyATDUGPPUMXRULB-UHFFFAOYSA-N
XLogP5.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.44
LogP ≤ 55.39
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-(2,4-difluorophenyl)-4-propoxybenzamide
CID 2295357
N-phenyl-4-(2-phenylsulfanylethoxy)benzamide
CID 46762944
N-(2,3-dimethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 53284080
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
N-methyl-4-(2-phenylsulfanylethoxy)benzamide
CID 53283867
N-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28635830
methyl 4-chloro-3-[[4-(2-phenylsulfanylethoxy)benzoyl]amino]benzoate
CID 99949786
N-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 38003479
N-(3,4-dichlorophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28578298
N-(3-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28571355
ethyl 2-[[4-(2-phenylsulfanylethoxy)benzoyl]amino]benzoate
CID 92675667
N-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28635770

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(2-phenylsulfanylethoxy)benzamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(2-phenylsulfanylethoxy)benzamide (CID 30392683) is N-(2,4-difluorophenyl)-4-(2-phenylsulfanylethoxy)benzamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(2-phenylsulfanylethoxy)benzamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(2-phenylsulfanylethoxy)benzamide is O=C(Nc1ccc(F)cc1F)c1ccc(OCCSc2ccccc2)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(2-phenylsulfanylethoxy)benzamide?
The InChIKey is ATDUGPPUMXRULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO2S/c22-16-8-11-20(19(23)14-16)24-21(25)15-6-9-17(10-7-15)26-12-13-27-18-4-2-1-3-5-18/h1-11,14H,12-13H2,(H,24,25).
What are the key properties of N-(2,4-difluorophenyl)-4-(2-phenylsulfanylethoxy)benzamide?
N-(2,4-difluorophenyl)-4-(2-phenylsulfanylethoxy)benzamide has a molecular weight of 385.44 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(2-phenylsulfanylethoxy)benzamide is sourced from PubChem (CID 30392683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).