N-[(3-fluorophenyl)methyl]-2-[6-(4-methylsulfinylphenyl)-3-pyridinyl]acetamide

C21H19FN2O2S — CID 145496447

IUPACN-[(3-fluorophenyl)methyl]-2-[6-(4-methylsulfinylphenyl)-3-pyridinyl]acetamide
SMILESCS(=O)c1ccc(-c2ccc(CC(=O)NCc3cccc(F)c3)cn2)cc1
InChIInChI=1S/C21H19FN2O2S/c1-27(26)19-8-6-17(7-9-19)20-10-5-16(13-23-20)12-21(25)24-14-15-3-2-4-18(22)11-15/h2-11,13H,12,14H2,1H3,(H,24,25)
InChIKeyZKHJOWDCAKXSBU-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.48
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-2-[6-(4-methylsulfinylphenyl)-3-pyridinyl]acetamide

N-[(3-fluorophenyl)methyl]-2-[6-(4-methylsulfinylphenyl)-3-pyridinyl]acetamide (PubChem CID 145496447) has the molecular formula C21H19FN2O2S and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-[6-(4-methylsulfinylphenyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-[6-(4-methylsulfinylphenyl)-3-pyridinyl]acetamide
PubChem CID145496447
Molecular FormulaC21H19FN2O2S
Molecular Weight382.46 g/mol
Exact Mass382.12
IUPAC NameN-[(3-fluorophenyl)methyl]-2-[6-(4-methylsulfinylphenyl)-3-pyridinyl]acetamide
SMILESCS(=O)c1ccc(-c2ccc(CC(=O)NCc3cccc(F)c3)cn2)cc1
InChIInChI=1S/C21H19FN2O2S/c1-27(26)19-8-6-17(7-9-19)20-10-5-16(13-23-20)12-21(25)24-14-15-3-2-4-18(22)11-15/h2-11,13H,12,14H2,1H3,(H,24,25)
InChIKeyZKHJOWDCAKXSBU-UHFFFAOYSA-N
XLogP3.48
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(4-ethoxyphenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride
CID 66718908
N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-2-pyridinyl]acetamide
CID 163790106
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 47161047
N-[(3-fluorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841647
2-[(3-fluorophenyl)sulfinyl-propan-2-ylamino]-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]acetamide
CID 134300365
2-[(4-fluorophenyl)sulfinyl-methylamino]-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]acetamide
CID 123823346
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 110780014
2-[6-(4-ethoxyphenyl)-1-hydroxypyridin-1-ium-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 59000647
5-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 56598625
CID 171787113
CID 171787113
2-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide;ethane;molecular hydrogen
CID 145496467
2-(3-fluorophenyl)-N-[[2-[(3-fluorophenyl)methoxy]-4-pyridinyl]methyl]acetamide
CID 171787172

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-[6-(4-methylsulfinylphenyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-[6-(4-methylsulfinylphenyl)-3-pyridinyl]acetamide (CID 145496447) is N-[(3-fluorophenyl)methyl]-2-[6-(4-methylsulfinylphenyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-[6-(4-methylsulfinylphenyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-[6-(4-methylsulfinylphenyl)-3-pyridinyl]acetamide is CS(=O)c1ccc(-c2ccc(CC(=O)NCc3cccc(F)c3)cn2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-[6-(4-methylsulfinylphenyl)-3-pyridinyl]acetamide?
The InChIKey is ZKHJOWDCAKXSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2S/c1-27(26)19-8-6-17(7-9-19)20-10-5-16(13-23-20)12-21(25)24-14-15-3-2-4-18(22)11-15/h2-11,13H,12,14H2,1H3,(H,24,25).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-[6-(4-methylsulfinylphenyl)-3-pyridinyl]acetamide?
N-[(3-fluorophenyl)methyl]-2-[6-(4-methylsulfinylphenyl)-3-pyridinyl]acetamide has a molecular weight of 382.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-[6-(4-methylsulfinylphenyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 145496447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).