2-[(2,3-difluorophenyl)methylsulfanyl]-N-(2,5-dimethoxyphenyl)acetamide

C17H17F2NO3S — CID 26635675

IUPAC2-[(2,3-difluorophenyl)methylsulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSCc2cccc(F)c2F)c1
InChIInChI=1S/C17H17F2NO3S/c1-22-12-6-7-15(23-2)14(8-12)20-16(21)10-24-9-11-4-3-5-13(18)17(11)19/h3-8H,9-10H2,1-2H3,(H,20,21)
InChIKeyZDSLYEZOARMJIK-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.85
Rot. Bonds7

About 2-[(2,3-difluorophenyl)methylsulfanyl]-N-(2,5-dimethoxyphenyl)acetamide

2-[(2,3-difluorophenyl)methylsulfanyl]-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 26635675) has the molecular formula C17H17F2NO3S and a molecular weight of 353.39 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)methylsulfanyl]-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)methylsulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID26635675
Molecular FormulaC17H17F2NO3S
Molecular Weight353.39 g/mol
Exact Mass353.09
IUPAC Name2-[(2,3-difluorophenyl)methylsulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSCc2cccc(F)c2F)c1
InChIInChI=1S/C17H17F2NO3S/c1-22-12-6-7-15(23-2)14(8-12)20-16(21)10-24-9-11-4-3-5-13(18)17(11)19/h3-8H,9-10H2,1-2H3,(H,20,21)
InChIKeyZDSLYEZOARMJIK-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)acetamide
CID 1228251
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[5-chloro-2-(3-methoxyphenoxy)phenyl]acetamide
CID 100655365
2-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)acetamide
CID 839117
1-(2,5-dimethoxyphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]guanidine
CID 111032776
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenoxy)acetamide
CID 7962741
2-[(2,3-difluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26635770
N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2609676
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 46799772
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907113
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2897632

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)methylsulfanyl]-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(2,3-difluorophenyl)methylsulfanyl]-N-(2,5-dimethoxyphenyl)acetamide (CID 26635675) is 2-[(2,3-difluorophenyl)methylsulfanyl]-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2,3-difluorophenyl)methylsulfanyl]-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(2,3-difluorophenyl)methylsulfanyl]-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)CSCc2cccc(F)c2F)c1.
What is the InChIKey of 2-[(2,3-difluorophenyl)methylsulfanyl]-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is ZDSLYEZOARMJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3S/c1-22-12-6-7-15(23-2)14(8-12)20-16(21)10-24-9-11-4-3-5-13(18)17(11)19/h3-8H,9-10H2,1-2H3,(H,20,21).
What are the key properties of 2-[(2,3-difluorophenyl)methylsulfanyl]-N-(2,5-dimethoxyphenyl)acetamide?
2-[(2,3-difluorophenyl)methylsulfanyl]-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 353.39 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)methylsulfanyl]-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 26635675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).