N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenoxy)acetamide

C15H12F3NO2S — CID 2326558

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C15H12F3NO2S/c16-12-3-1-2-4-13(12)21-9-14(20)19-10-5-7-11(8-6-10)22-15(17)18/h1-8,15H,9H2,(H,19,20)
InChIKeyDTFAJZDQWQHKPN-UHFFFAOYSA-N
MW327.33 g/mol
LogP4.16
Rot. Bonds6

About N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenoxy)acetamide

N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenoxy)acetamide (PubChem CID 2326558) has the molecular formula C15H12F3NO2S and a molecular weight of 327.33 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenoxy)acetamide
PubChem CID2326558
Molecular FormulaC15H12F3NO2S
Molecular Weight327.33 g/mol
Exact Mass327.05
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C15H12F3NO2S/c16-12-3-1-2-4-13(12)21-9-14(20)19-10-5-7-11(8-6-10)22-15(17)18/h1-8,15H,9H2,(H,19,20)
InChIKeyDTFAJZDQWQHKPN-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

Analyze N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]benzoate
CID 42964430
N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenoxy)acetamide
CID 4243921
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluoroanilino)acetamide
CID 9099106
2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]-N-(2-thiophen-2-ylethyl)benzamide
CID 26795665
N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide
CID 24633206
[2-(diethylamino)-2-oxoethyl] 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]benzoate
CID 29243511
N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 26499511
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467585
2-(2-fluorophenoxy)-N-[4-(methylsulfamoyl)phenyl]acetamide
CID 9219508
N-(2,6-difluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 892688
N-(4-ethoxy-3-fluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 110777396
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-phenoxypropanoate
CID 7841536

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenoxy)acetamide (CID 2326558) is N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenoxy)acetamide is O=C(COc1ccccc1F)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is DTFAJZDQWQHKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2S/c16-12-3-1-2-4-13(12)21-9-14(20)19-10-5-7-11(8-6-10)22-15(17)18/h1-8,15H,9H2,(H,19,20).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenoxy)acetamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenoxy)acetamide 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-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 2326558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).