2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

C20H23N3O2S — CID 7491707

IUPAC2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccccc1CN(C)C(=O)CSc1nc(C)c(C)c(C)c1C#N
InChIInChI=1S/C20H23N3O2S/c1-13-14(2)17(10-21)20(22-15(13)3)26-12-19(24)23(4)11-16-8-6-7-9-18(16)25-5/h6-9H,11-12H2,1-5H3
InChIKeyKRIIMXOPKIEKRQ-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.64
Rot. Bonds6

About 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 7491707) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID7491707
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccccc1CN(C)C(=O)CSc1nc(C)c(C)c(C)c1C#N
InChIInChI=1S/C20H23N3O2S/c1-13-14(2)17(10-21)20(22-15(13)3)26-12-19(24)23(4)11-16-8-6-7-9-18(16)25-5/h6-9H,11-12H2,1-5H3
InChIKeyKRIIMXOPKIEKRQ-UHFFFAOYSA-N
XLogP3.64
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide with MolForge

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenyl)sulfanylacetamide
CID 43909023
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
CID 17446702
2-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 51099203
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
N-[(2-methoxyphenyl)methyl]-N-methyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7560893
3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94685610
N-[(2-methoxyphenyl)methyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 7431219
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 7560171
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 40668213
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8809788
2-(2,4-dimethylquinolin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 17471505

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (CID 7491707) is 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is COc1ccccc1CN(C)C(=O)CSc1nc(C)c(C)c(C)c1C#N.
What is the InChIKey of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is KRIIMXOPKIEKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-13-14(2)17(10-21)20(22-15(13)3)26-12-19(24)23(4)11-16-8-6-7-9-18(16)25-5/h6-9H,11-12H2,1-5H3.
What are the key properties of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 369.49 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 7491707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).