N-(2,4-difluorophenyl)-2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridinyl]acetamide

C21H18F2N2O3S — CID 26844680

IUPACN-(2,4-difluorophenyl)-2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)Nc2ccc(F)cc2F)c(CSc2ccccc2)cc1=O
InChIInChI=1S/C21H18F2N2O3S/c1-28-20-11-25(12-21(27)24-18-8-7-14(22)9-17(18)23)15(10-19(20)26)13-29-16-5-3-2-4-6-16/h2-11H,12-13H2,1H3,(H,24,27)
InChIKeyMNFJZGTZWODIGO-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.07
Rot. Bonds7

About N-(2,4-difluorophenyl)-2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridinyl]acetamide

N-(2,4-difluorophenyl)-2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridinyl]acetamide (PubChem CID 26844680) has the molecular formula C21H18F2N2O3S and a molecular weight of 416.45 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridinyl]acetamide
PubChem CID26844680
Molecular FormulaC21H18F2N2O3S
Molecular Weight416.45 g/mol
Exact Mass416.10
IUPAC NameN-(2,4-difluorophenyl)-2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)Nc2ccc(F)cc2F)c(CSc2ccccc2)cc1=O
InChIInChI=1S/C21H18F2N2O3S/c1-28-20-11-25(12-21(27)24-18-8-7-14(22)9-17(18)23)15(10-19(20)26)13-29-16-5-3-2-4-6-16/h2-11H,12-13H2,1H3,(H,24,27)
InChIKeyMNFJZGTZWODIGO-UHFFFAOYSA-N
XLogP4.07
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 18587759
2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
CID 22585214
N-(5-chloro-2-methoxyphenyl)-2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
CID 22585256
2-[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 26844686
N-(2,4-difluorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide
CID 16853849
2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-phenylsulfanylethyl)acetamide
CID 56761933
N-(2,4-difluorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide
CID 16852826
N-(2,4-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040661
N-(2,4-difluorophenyl)-2-[2-methyl-5-[(2-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide
CID 16852985
2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-naphthalen-1-ylacetamide
CID 18587585
2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 18587666
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8548137

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridinyl]acetamide (CID 26844680) is N-(2,4-difluorophenyl)-2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridinyl]acetamide is COc1cn(CC(=O)Nc2ccc(F)cc2F)c(CSc2ccccc2)cc1=O.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridinyl]acetamide?
The InChIKey is MNFJZGTZWODIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O3S/c1-28-20-11-25(12-21(27)24-18-8-7-14(22)9-17(18)23)15(10-19(20)26)13-29-16-5-3-2-4-6-16/h2-11H,12-13H2,1H3,(H,24,27).
What are the key properties of N-(2,4-difluorophenyl)-2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridinyl]acetamide?
N-(2,4-difluorophenyl)-2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridinyl]acetamide has a molecular weight of 416.45 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 26844680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).