2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[2-(2-fluorophenyl)ethyl]acetamide

C19H20FN3OS — CID 40668213

IUPAC2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESCc1nc(SCC(=O)NCCc2ccccc2F)c(C#N)c(C)c1C
InChIInChI=1S/C19H20FN3OS/c1-12-13(2)16(10-21)19(23-14(12)3)25-11-18(24)22-9-8-15-6-4-5-7-17(15)20/h4-7H,8-9,11H2,1-3H3,(H,22,24)
InChIKeyRFQKOHIFLSVNPM-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.47
Rot. Bonds6

About 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[2-(2-fluorophenyl)ethyl]acetamide

2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[2-(2-fluorophenyl)ethyl]acetamide (PubChem CID 40668213) has the molecular formula C19H20FN3OS and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[2-(2-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[2-(2-fluorophenyl)ethyl]acetamide
PubChem CID40668213
Molecular FormulaC19H20FN3OS
Molecular Weight357.45 g/mol
Exact Mass357.13
IUPAC Name2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESCc1nc(SCC(=O)NCCc2ccccc2F)c(C#N)c(C)c1C
InChIInChI=1S/C19H20FN3OS/c1-12-13(2)16(10-21)19(23-14(12)3)25-11-18(24)22-9-8-15-6-4-5-7-17(15)20/h4-7H,8-9,11H2,1-3H3,(H,22,24)
InChIKeyRFQKOHIFLSVNPM-UHFFFAOYSA-N
XLogP3.47
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[2-(2-fluorophenyl)ethyl]acetamide with MolForge

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Related Compounds

N-(2-benzylsulfanylethyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide
CID 7489605
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 7491456
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 17438789
N-[2-(2-fluorophenyl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 9202409
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide
CID 9347617
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetic acid
CID 695730
2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 23007639
N-[2-(4-tert-butylphenyl)ethyl]-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanylacetamide
CID 78902505
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 33229890
N-[(2-fluorophenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8809861
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(4-fluoro-3-nitrophenyl)acetamide
CID 7491646
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24630975

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[2-(2-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[2-(2-fluorophenyl)ethyl]acetamide (CID 40668213) is 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[2-(2-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[2-(2-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[2-(2-fluorophenyl)ethyl]acetamide is Cc1nc(SCC(=O)NCCc2ccccc2F)c(C#N)c(C)c1C.
What is the InChIKey of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[2-(2-fluorophenyl)ethyl]acetamide?
The InChIKey is RFQKOHIFLSVNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3OS/c1-12-13(2)16(10-21)19(23-14(12)3)25-11-18(24)22-9-8-15-6-4-5-7-17(15)20/h4-7H,8-9,11H2,1-3H3,(H,22,24).
What are the key properties of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[2-(2-fluorophenyl)ethyl]acetamide?
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[2-(2-fluorophenyl)ethyl]acetamide has a molecular weight of 357.45 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[2-(2-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 40668213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).