N-(2-fluorophenyl)-2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylsulfanyl]acetamide

C16H17FN2O3S — CID 2797163

IUPACN-(2-fluorophenyl)-2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylsulfanyl]acetamide
SMILESCc1ncc(CSCC(=O)Nc2ccccc2F)c(CO)c1O
InChIInChI=1S/C16H17FN2O3S/c1-10-16(22)12(7-20)11(6-18-10)8-23-9-15(21)19-14-5-3-2-4-13(14)17/h2-6,20,22H,7-9H2,1H3,(H,19,21)
InChIKeyQAPPYQKJOXCUQB-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.60
Rot. Bonds6

About N-(2-fluorophenyl)-2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylsulfanyl]acetamide

N-(2-fluorophenyl)-2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylsulfanyl]acetamide (PubChem CID 2797163) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylsulfanyl]acetamide
PubChem CID2797163
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC NameN-(2-fluorophenyl)-2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylsulfanyl]acetamide
SMILESCc1ncc(CSCC(=O)Nc2ccccc2F)c(CO)c1O
InChIInChI=1S/C16H17FN2O3S/c1-10-16(22)12(7-20)11(6-18-10)8-23-9-15(21)19-14-5-3-2-4-13(14)17/h2-6,20,22H,7-9H2,1H3,(H,19,21)
InChIKeyQAPPYQKJOXCUQB-UHFFFAOYSA-N
XLogP2.60
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-2-[(5-fluoroquinolin-8-yl)methylsulfanyl]acetamide
CID 87033616
N-(5-chloro-2-pyridinyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 2534109
N-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 60623801
2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 79683205
2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 66228322
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 17482942
N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7985076
2-(azetidin-3-ylmethylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 66288434
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 1174565
2-[(2,3-difluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26635770
benzyl 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 7812607
2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propan-2-ylacetamide
CID 9301491

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylsulfanyl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylsulfanyl]acetamide (CID 2797163) is N-(2-fluorophenyl)-2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylsulfanyl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylsulfanyl]acetamide is Cc1ncc(CSCC(=O)Nc2ccccc2F)c(CO)c1O.
What is the InChIKey of N-(2-fluorophenyl)-2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylsulfanyl]acetamide?
The InChIKey is QAPPYQKJOXCUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-10-16(22)12(7-20)11(6-18-10)8-23-9-15(21)19-14-5-3-2-4-13(14)17/h2-6,20,22H,7-9H2,1H3,(H,19,21).
What are the key properties of N-(2-fluorophenyl)-2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylsulfanyl]acetamide?
N-(2-fluorophenyl)-2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylsulfanyl]acetamide has a molecular weight of 336.39 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylsulfanyl]acetamide is sourced from PubChem (CID 2797163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).