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

C15H12F3NOS2 — CID 42000152

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1ccccc1SC(F)F
InChIInChI=1S/C15H12F3NOS2/c16-10-5-7-11(8-6-10)21-9-14(20)19-12-3-1-2-4-13(12)22-15(17)18/h1-8,15H,9H2,(H,19,20)
InChIKeyKWHNNUXIGALJRZ-UHFFFAOYSA-N
MW343.40 g/mol
LogP4.87
Rot. Bonds6

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

N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 42000152) has the molecular formula C15H12F3NOS2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID42000152
Molecular FormulaC15H12F3NOS2
Molecular Weight343.40 g/mol
Exact Mass343.03
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1ccccc1SC(F)F
InChIInChI=1S/C15H12F3NOS2/c16-10-5-7-11(8-6-10)21-9-14(20)19-12-3-1-2-4-13(12)22-15(17)18/h1-8,15H,9H2,(H,19,20)
InChIKeyKWHNNUXIGALJRZ-UHFFFAOYSA-N
XLogP4.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2994410
2-(4-fluorophenyl)sulfanyl-N-(2-iodophenyl)acetamide
CID 2704723
2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 63678703
2-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 35357969
2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-phenylethyl)benzamide
CID 8886336
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041
N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 52896199
N-[2-(difluoromethylsulfanyl)phenyl]-2-(prop-2-enylamino)acetamide
CID 78910823
N-(2-ethylsulfanylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 46763178
N-[2-(difluoromethylsulfanyl)phenyl]-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 16597298
N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 18288419
N-(2,6-difluorophenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 7284421

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide (CID 42000152) is N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide is O=C(CSc1ccc(F)cc1)Nc1ccccc1SC(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is KWHNNUXIGALJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NOS2/c16-10-5-7-11(8-6-10)21-9-14(20)19-12-3-1-2-4-13(12)22-15(17)18/h1-8,15H,9H2,(H,19,20).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide?
N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 343.40 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 42000152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).