N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide

C15H12F3NO2S — CID 2591517

IUPACN-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H12F3NO2S/c16-12-3-1-2-4-13(12)22-9-14(20)19-10-5-7-11(8-6-10)21-15(17)18/h1-8,15H,9H2,(H,19,20)
InChIKeyCEQBAYLJATUHBU-UHFFFAOYSA-N
MW327.33 g/mol
LogP4.16
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide

N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 2591517) has the molecular formula C15H12F3NO2S and a molecular weight of 327.33 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID2591517
Molecular FormulaC15H12F3NO2S
Molecular Weight327.33 g/mol
Exact Mass327.05
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H12F3NO2S/c16-12-3-1-2-4-13(12)22-9-14(20)19-10-5-7-11(8-6-10)21-15(17)18/h1-8,15H,9H2,(H,19,20)
InChIKeyCEQBAYLJATUHBU-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminophenyl)sulfanyl-N-[4-(difluoromethoxy)phenyl]acetamide
CID 8554081
N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591885
N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591716
N-[2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 2591520
N-[4-(difluoromethoxy)phenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42294890
N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenoxy)acetamide
CID 4243921
N-[4-(difluoromethoxy)phenyl]-3,3-diphenylpropanamide
CID 7941321
N-[4-(difluoromethoxy)phenyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2613279
2-(2-fluorophenyl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 7965036
N-[4-(difluoromethoxy)phenyl]-2-(2-hydroxyphenoxy)acetamide
CID 78770173
N-[4-(difluoromethoxy)phenyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112786642
N,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide
CID 7965030

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide (CID 2591517) is N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide is O=C(CSc1ccccc1F)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is CEQBAYLJATUHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2S/c16-12-3-1-2-4-13(12)22-9-14(20)19-10-5-7-11(8-6-10)21-15(17)18/h1-8,15H,9H2,(H,19,20).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide?
N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide has a molecular weight of 327.33 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 2591517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).