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

C15H12F3NO2S — CID 2591520

IUPACN-[2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)Nc1ccccc1OC(F)F
InChIInChI=1S/C15H12F3NO2S/c16-10-5-1-4-8-13(10)22-9-14(20)19-11-6-2-3-7-12(11)21-15(17)18/h1-8,15H,9H2,(H,19,20)
InChIKeySLLWCXBZYBVGBI-UHFFFAOYSA-N
MW327.33 g/mol
LogP4.16
Rot. Bonds6

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

N-[2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 2591520) has the molecular formula C15H12F3NO2S and a molecular weight of 327.33 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID2591520
Molecular FormulaC15H12F3NO2S
Molecular Weight327.33 g/mol
Exact Mass327.05
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)Nc1ccccc1OC(F)F
InChIInChI=1S/C15H12F3NO2S/c16-10-5-1-4-8-13(10)22-9-14(20)19-11-6-2-3-7-12(11)21-15(17)18/h1-8,15H,9H2,(H,19,20)
InChIKeySLLWCXBZYBVGBI-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-[2-(difluoromethoxy)anilino]-2-oxoethyl]sulfanylbenzoic acid
CID 5019415
N-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2994410
N-[2-(difluoromethoxy)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 2995782
N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 2591517
N-(2-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591754
N-[2-(difluoromethoxy)phenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2478888
2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 2454668
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 2603803
N-[2-(difluoromethoxy)phenyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 38131882
N-[2-(difluoromethoxy)phenyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2660781
N-[2-(difluoromethoxy)phenyl]-3-hydroxy-3-phenylpropanamide
CID 110883082
N-[2-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 2425783

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide (CID 2591520) is N-[2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide is O=C(CSc1ccccc1F)Nc1ccccc1OC(F)F.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is SLLWCXBZYBVGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2S/c16-10-5-1-4-8-13(10)22-9-14(20)19-11-6-2-3-7-12(11)21-15(17)18/h1-8,15H,9H2,(H,19,20).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide?
N-[2-(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-[2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 2591520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).