2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide

C18H18FN3O2S — CID 126185717

IUPAC2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCOCc1cc(C)nc(SCC(=O)Nc2cc(F)ccc2C)c1C#N
InChIInChI=1S/C18H18FN3O2S/c1-11-4-5-14(19)7-16(11)22-17(23)10-25-18-15(8-20)13(9-24-3)6-12(2)21-18/h4-7H,9-10H2,1-3H3,(H,22,23)
InChIKeyNWIGCINYTAZLRY-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.59
Rot. Bonds6

About 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide

2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide (PubChem CID 126185717) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide
PubChem CID126185717
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC Name2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCOCc1cc(C)nc(SCC(=O)Nc2cc(F)ccc2C)c1C#N
InChIInChI=1S/C18H18FN3O2S/c1-11-4-5-14(19)7-16(11)22-17(23)10-25-18-15(8-20)13(9-24-3)6-12(2)21-18/h4-7H,9-10H2,1-3H3,(H,22,23)
InChIKeyNWIGCINYTAZLRY-UHFFFAOYSA-N
XLogP3.59
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide with MolForge

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Related Compounds

2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 6459560
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide
CID 1210911
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(4-ethylphenyl)acetamide
CID 5302651
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide
CID 1288114
N-(2-benzoylphenyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide;methane;molecular hydrogen
CID 158898943
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 2229878
N-[(2S)-butan-2-yl]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide
CID 40501036
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2959185
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 2234099
4-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanylmethyl]benzoic acid
CID 958108
2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzoate
CID 4106841
methyl 4-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzoate
CID 1117459

Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide (CID 126185717) is 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide is COCc1cc(C)nc(SCC(=O)Nc2cc(F)ccc2C)c1C#N.
What is the InChIKey of 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide?
The InChIKey is NWIGCINYTAZLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c1-11-4-5-14(19)7-16(11)22-17(23)10-25-18-15(8-20)13(9-24-3)6-12(2)21-18/h4-7H,9-10H2,1-3H3,(H,22,23).
What are the key properties of 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide?
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide has a molecular weight of 359.43 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 126185717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).