N-[[4-(difluoromethoxy)phenyl]methyl]-4-(difluoromethylsulfanyl)-N-methylbenzamide

C17H15F4NO2S — CID 55518274

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-4-(difluoromethylsulfanyl)-N-methylbenzamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(SC(F)F)cc1
InChIInChI=1S/C17H15F4NO2S/c1-22(10-11-2-6-13(7-3-11)24-16(18)19)15(23)12-4-8-14(9-5-12)25-17(20)21/h2-9,16-17H,10H2,1H3
InChIKeyYSNGKONYJQZTPP-UHFFFAOYSA-N
MW373.37 g/mol
LogP4.87
Rot. Bonds7

About N-[[4-(difluoromethoxy)phenyl]methyl]-4-(difluoromethylsulfanyl)-N-methylbenzamide

N-[[4-(difluoromethoxy)phenyl]methyl]-4-(difluoromethylsulfanyl)-N-methylbenzamide (PubChem CID 55518274) has the molecular formula C17H15F4NO2S and a molecular weight of 373.37 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-4-(difluoromethylsulfanyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-4-(difluoromethylsulfanyl)-N-methylbenzamide
PubChem CID55518274
Molecular FormulaC17H15F4NO2S
Molecular Weight373.37 g/mol
Exact Mass373.08
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-4-(difluoromethylsulfanyl)-N-methylbenzamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(SC(F)F)cc1
InChIInChI=1S/C17H15F4NO2S/c1-22(10-11-2-6-13(7-3-11)24-16(18)19)15(23)12-4-8-14(9-5-12)25-17(20)21/h2-9,16-17H,10H2,1H3
InChIKeyYSNGKONYJQZTPP-UHFFFAOYSA-N
XLogP4.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl] 4-(difluoromethylsulfanyl)benzoate
CID 55505403
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55770626
N-[[4-(difluoromethoxy)phenyl]methyl]-3,5-dimethoxy-N,4-dimethylbenzamide
CID 31238666
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 30944934
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide
CID 43616660
N-[[4-(difluoromethylsulfanyl)phenyl]methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 49225172
4-(cyclopropylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbenzamide
CID 39913342
N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 134059081
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
4-(difluoromethoxy)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]benzamide
CID 70751227
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-5-sulfamoylthiophene-3-carboxamide
CID 51270529
4-(difluoromethoxy)-N-(3-hydroxybutyl)-N-methylbenzamide
CID 115673441

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-4-(difluoromethylsulfanyl)-N-methylbenzamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-4-(difluoromethylsulfanyl)-N-methylbenzamide (CID 55518274) is N-[[4-(difluoromethoxy)phenyl]methyl]-4-(difluoromethylsulfanyl)-N-methylbenzamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-4-(difluoromethylsulfanyl)-N-methylbenzamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-4-(difluoromethylsulfanyl)-N-methylbenzamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(SC(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-4-(difluoromethylsulfanyl)-N-methylbenzamide?
The InChIKey is YSNGKONYJQZTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4NO2S/c1-22(10-11-2-6-13(7-3-11)24-16(18)19)15(23)12-4-8-14(9-5-12)25-17(20)21/h2-9,16-17H,10H2,1H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-4-(difluoromethylsulfanyl)-N-methylbenzamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(difluoromethylsulfanyl)-N-methylbenzamide has a molecular weight of 373.37 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-4-(difluoromethylsulfanyl)-N-methylbenzamide is sourced from PubChem (CID 55518274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).