N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methylphenoxy)acetamide

C16H15F2NO2S — CID 26499511

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(SC(F)F)cc2)c1
InChIInChI=1S/C16H15F2NO2S/c1-11-3-2-4-13(9-11)21-10-15(20)19-12-5-7-14(8-6-12)22-16(17)18/h2-9,16H,10H2,1H3,(H,19,20)
InChIKeyVGAZGSKLHBMFRK-UHFFFAOYSA-N
MW323.36 g/mol
LogP4.33
Rot. Bonds6

About N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methylphenoxy)acetamide

N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methylphenoxy)acetamide (PubChem CID 26499511) has the molecular formula C16H15F2NO2S and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methylphenoxy)acetamide
PubChem CID26499511
Molecular FormulaC16H15F2NO2S
Molecular Weight323.36 g/mol
Exact Mass323.08
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(SC(F)F)cc2)c1
InChIInChI=1S/C16H15F2NO2S/c1-11-3-2-4-13(9-11)21-10-15(20)19-12-5-7-14(8-6-12)22-16(17)18/h2-9,16H,10H2,1H3,(H,19,20)
InChIKeyVGAZGSKLHBMFRK-UHFFFAOYSA-N
XLogP4.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153755
N-[3-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46546603
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-(3-methylphenoxy)-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide
CID 1317603
4-[[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 26157492
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467585
2-(3-methylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 675979
N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide
CID 7731668
N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 883065
2-(3-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
CID 4231625
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenoxy)acetamide
CID 2326558
N-(3-aminophenyl)-2-(3-methylphenoxy)acetamide
CID 16789843

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methylphenoxy)acetamide (CID 26499511) is N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2ccc(SC(F)F)cc2)c1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is VGAZGSKLHBMFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2S/c1-11-3-2-4-13(9-11)21-10-15(20)19-12-5-7-14(8-6-12)22-16(17)18/h2-9,16H,10H2,1H3,(H,19,20).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methylphenoxy)acetamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 323.36 g/mol, XLogP of 4.33, 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-(3-methylphenoxy)acetamide is sourced from PubChem (CID 26499511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).