N-[4-(difluoromethoxy)phenyl]-2-(4-methylsulfanylphenoxy)acetamide

C16H15F2NO3S — CID 7893735

IUPACN-[4-(difluoromethoxy)phenyl]-2-(4-methylsulfanylphenoxy)acetamide
SMILESCSc1ccc(OCC(=O)Nc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C16H15F2NO3S/c1-23-14-8-6-12(7-9-14)21-10-15(20)19-11-2-4-13(5-3-11)22-16(17)18/h2-9,16H,10H2,1H3,(H,19,20)
InChIKeyQRXKQVDHYRAXLD-UHFFFAOYSA-N
MW339.36 g/mol
LogP4.03
Rot. Bonds7

About N-[4-(difluoromethoxy)phenyl]-2-(4-methylsulfanylphenoxy)acetamide

N-[4-(difluoromethoxy)phenyl]-2-(4-methylsulfanylphenoxy)acetamide (PubChem CID 7893735) has the molecular formula C16H15F2NO3S and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-(4-methylsulfanylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-(4-methylsulfanylphenoxy)acetamide
PubChem CID7893735
Molecular FormulaC16H15F2NO3S
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-(4-methylsulfanylphenoxy)acetamide
SMILESCSc1ccc(OCC(=O)Nc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C16H15F2NO3S/c1-23-14-8-6-12(7-9-14)21-10-15(20)19-11-2-4-13(5-3-11)22-16(17)18/h2-9,16H,10H2,1H3,(H,19,20)
InChIKeyQRXKQVDHYRAXLD-UHFFFAOYSA-N
XLogP4.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713910
N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenoxy)acetamide
CID 2709478
2-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153670
N-[4-(difluoromethoxy)phenyl]-2-(2-hydroxyphenoxy)acetamide
CID 78770173
N-[4-(difluoromethoxy)phenyl]-2-(3-methoxyphenoxy)acetamide
CID 2323436
N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenoxy)acetamide
CID 4243921
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 2506763
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598019
2-(3-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 7858810
2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153755
N-(4-methylsulfanylphenyl)-2-(2-phenoxyethoxy)acetamide
CID 46485144
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580671

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(4-methylsulfanylphenoxy)acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(4-methylsulfanylphenoxy)acetamide (CID 7893735) is N-[4-(difluoromethoxy)phenyl]-2-(4-methylsulfanylphenoxy)acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-(4-methylsulfanylphenoxy)acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-(4-methylsulfanylphenoxy)acetamide is CSc1ccc(OCC(=O)Nc2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-(4-methylsulfanylphenoxy)acetamide?
The InChIKey is QRXKQVDHYRAXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3S/c1-23-14-8-6-12(7-9-14)21-10-15(20)19-11-2-4-13(5-3-11)22-16(17)18/h2-9,16H,10H2,1H3,(H,19,20).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-(4-methylsulfanylphenoxy)acetamide?
N-[4-(difluoromethoxy)phenyl]-2-(4-methylsulfanylphenoxy)acetamide has a molecular weight of 339.36 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-(4-methylsulfanylphenoxy)acetamide is sourced from PubChem (CID 7893735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).