N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide

C21H18ClFN2O3S — CID 18587759

IUPACN-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)Nc2ccc(Cl)cc2)c(CSc2ccc(F)cc2)cc1=O
InChIInChI=1S/C21H18ClFN2O3S/c1-28-20-11-25(12-21(27)24-16-6-2-14(22)3-7-16)17(10-19(20)26)13-29-18-8-4-15(23)5-9-18/h2-11H,12-13H2,1H3,(H,24,27)
InChIKeyOTUVBRSWCOMHGF-UHFFFAOYSA-N
MW432.90 g/mol
LogP4.58
Rot. Bonds7

About N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide

N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide (PubChem CID 18587759) has the molecular formula C21H18ClFN2O3S and a molecular weight of 432.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
PubChem CID18587759
Molecular FormulaC21H18ClFN2O3S
Molecular Weight432.90 g/mol
Exact Mass432.07
IUPAC NameN-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)Nc2ccc(Cl)cc2)c(CSc2ccc(F)cc2)cc1=O
InChIInChI=1S/C21H18ClFN2O3S/c1-28-20-11-25(12-21(27)24-16-6-2-14(22)3-7-16)17(10-19(20)26)13-29-18-8-4-15(23)5-9-18/h2-11H,12-13H2,1H3,(H,24,27)
InChIKeyOTUVBRSWCOMHGF-UHFFFAOYSA-N
XLogP4.58
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.90
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 26844686
2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
CID 22585214
N-(3-chlorophenyl)-2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
CID 22585241
N-(2,4-difluorophenyl)-2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridinyl]acetamide
CID 26844680
N-(5-chloro-2-methoxyphenyl)-2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
CID 22585256
N-(4-ethylphenyl)-2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridinyl]acetamide
CID 26844681
2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 18587666
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
N-(4-acetamidophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
CID 26844664
N-(4-ethoxyphenyl)-2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]acetamide
CID 27652989
2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide
CID 27505539
N-(3-chlorophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
CID 27544042

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide (CID 18587759) is N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide is COc1cn(CC(=O)Nc2ccc(Cl)cc2)c(CSc2ccc(F)cc2)cc1=O.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide?
The InChIKey is OTUVBRSWCOMHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O3S/c1-28-20-11-25(12-21(27)24-16-6-2-14(22)3-7-16)17(10-19(20)26)13-29-18-8-4-15(23)5-9-18/h2-11H,12-13H2,1H3,(H,24,27).
What are the key properties of N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide?
N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide has a molecular weight of 432.90 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 18587759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).