N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide

C17H17F2NO3S — CID 31523995

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C17H17F2NO3S/c1-11-7-8-13(14(9-11)22-2)23-10-16(21)20-12-5-3-4-6-15(12)24-17(18)19/h3-9,17H,10H2,1-2H3,(H,20,21)
InChIKeyLLXDZCSAHBNYPQ-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.34
Rot. Bonds7

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

N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide (PubChem CID 31523995) has the molecular formula C17H17F2NO3S and a molecular weight of 353.39 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide
PubChem CID31523995
Molecular FormulaC17H17F2NO3S
Molecular Weight353.39 g/mol
Exact Mass353.09
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C17H17F2NO3S/c1-11-7-8-13(14(9-11)22-2)23-10-16(21)20-12-5-3-4-6-15(12)24-17(18)19/h3-9,17H,10H2,1-2H3,(H,20,21)
InChIKeyLLXDZCSAHBNYPQ-UHFFFAOYSA-N
XLogP4.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide
CID 2627702
2-(2-methoxy-4-methylphenoxy)-N-(2-phenoxyphenyl)acetamide
CID 35079349
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 4044601
N-[2-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 25499840
N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18165666
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
N-(2,5-dichlorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35987064
N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2627654
N-[2-(difluoromethylsulfanyl)phenyl]-2-methoxybenzamide
CID 26181019
2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 807483
N-(2-methoxy-5-methylphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 51283496
2-[2-(difluoromethylsulfanyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 17395137

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide (CID 31523995) is N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide is COc1cc(C)ccc1OCC(=O)Nc1ccccc1SC(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The InChIKey is LLXDZCSAHBNYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3S/c1-11-7-8-13(14(9-11)22-2)23-10-16(21)20-12-5-3-4-6-15(12)24-17(18)19/h3-9,17H,10H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide has a molecular weight of 353.39 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide is sourced from PubChem (CID 31523995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).