2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,6-difluorophenyl)-2-phenylacetamide

C22H17F2N3OS — CID 2726076

IUPAC2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,6-difluorophenyl)-2-phenylacetamide
SMILESCc1cc(C)c(C#N)c(SC(C(=O)Nc2c(F)cccc2F)c2ccccc2)n1
InChIInChI=1S/C22H17F2N3OS/c1-13-11-14(2)26-22(16(13)12-25)29-20(15-7-4-3-5-8-15)21(28)27-19-17(23)9-6-10-18(19)24/h3-11,20H,1-2H3,(H,27,28)
InChIKeyUEBOZMBVJZOBAC-UHFFFAOYSA-N
MW409.46 g/mol
LogP5.32
Rot. Bonds5

About 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,6-difluorophenyl)-2-phenylacetamide

2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,6-difluorophenyl)-2-phenylacetamide (PubChem CID 2726076) has the molecular formula C22H17F2N3OS and a molecular weight of 409.46 g/mol. Its IUPAC name is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,6-difluorophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,6-difluorophenyl)-2-phenylacetamide
PubChem CID2726076
Molecular FormulaC22H17F2N3OS
Molecular Weight409.46 g/mol
Exact Mass409.11
IUPAC Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,6-difluorophenyl)-2-phenylacetamide
SMILESCc1cc(C)c(C#N)c(SC(C(=O)Nc2c(F)cccc2F)c2ccccc2)n1
InChIInChI=1S/C22H17F2N3OS/c1-13-11-14(2)26-22(16(13)12-25)29-20(15-7-4-3-5-8-15)21(28)27-19-17(23)9-6-10-18(19)24/h3-11,20H,1-2H3,(H,27,28)
InChIKeyUEBOZMBVJZOBAC-UHFFFAOYSA-N
XLogP5.32
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.46
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,6-difluorophenyl)-2-phenylacetamide with MolForge

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Related Compounds

2-((3-Cyano-6-(4-methylphenyl)-4-(trifluoromethyl)-2-pyridinyl)sulfanyl)-N-phenylacetamide
CID 3288231
2-((3-Cyano-6-(2-thienyl)-4-(tri-F-ME)-2-pyridinyl)thio)-N-(3-ME-PH)acetamide
CID 1035668
N-[3-(acetylamino)phenyl]-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide
CID 657970
2-((3-Cyano-6-(4-F-PH)-4-(trifluoromethyl)-2-pyridinyl)thio)-N-phenylacetamide
CID 3854561
6-Methyl-2-((2-oxo-2-phenylethyl)sulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 569520
2-(3-Cyano-6-methyl-4-phenyl-pyridin-2-ylsulfanyl)-acetamide
CID 648486
2-[2-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetylamino]-benzamide
CID 655086
2-{[2-(4-Methylphenyl)-2-oxoethyl]sulfanyl}-6-phenylpyridine-3-carbonitrile
CID 690226
N-tert-butyl-2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide
CID 728675
3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide
CID 983945
2-[(6-tert-butyl-3-cyano-4-phenylpyridin-2-yl)sulfanyl]-N-phenylpropanamide
CID 3166940
2-{[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
CID 3476583

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,6-difluorophenyl)-2-phenylacetamide?
The IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,6-difluorophenyl)-2-phenylacetamide (CID 2726076) is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,6-difluorophenyl)-2-phenylacetamide.
What is the SMILES notation for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,6-difluorophenyl)-2-phenylacetamide?
The canonical SMILES for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,6-difluorophenyl)-2-phenylacetamide is Cc1cc(C)c(C#N)c(SC(C(=O)Nc2c(F)cccc2F)c2ccccc2)n1.
What is the InChIKey of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,6-difluorophenyl)-2-phenylacetamide?
The InChIKey is UEBOZMBVJZOBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3OS/c1-13-11-14(2)26-22(16(13)12-25)29-20(15-7-4-3-5-8-15)21(28)27-19-17(23)9-6-10-18(19)24/h3-11,20H,1-2H3,(H,27,28).
What are the key properties of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,6-difluorophenyl)-2-phenylacetamide?
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,6-difluorophenyl)-2-phenylacetamide has a molecular weight of 409.46 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,6-difluorophenyl)-2-phenylacetamide is sourced from PubChem (CID 2726076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).