N-(2-methoxyphenyl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide

C19H18N4O2S — CID 95921612

IUPACN-(2-methoxyphenyl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide
SMILESCOc1ccccc1NC(=O)CSc1cc(-c2ccccn2)nc(C)n1
InChIInChI=1S/C19H18N4O2S/c1-13-21-16(14-7-5-6-10-20-14)11-19(22-13)26-12-18(24)23-15-8-3-4-9-17(15)25-2/h3-11H,12H2,1-2H3,(H,23,24)
InChIKeyBKWRDLVQGPZOJQ-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.59
Rot. Bonds6

About N-(2-methoxyphenyl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide

N-(2-methoxyphenyl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide (PubChem CID 95921612) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide
PubChem CID95921612
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-(2-methoxyphenyl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide
SMILESCOc1ccccc1NC(=O)CSc1cc(-c2ccccn2)nc(C)n1
InChIInChI=1S/C19H18N4O2S/c1-13-21-16(14-7-5-6-10-20-14)11-19(22-13)26-12-18(24)23-15-8-3-4-9-17(15)25-2/h3-11H,12H2,1-2H3,(H,23,24)
InChIKeyBKWRDLVQGPZOJQ-UHFFFAOYSA-N
XLogP3.59
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide
CID 95921613
2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 40701025
2-[[4-(2,3-dimethylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 1456114
N-(2-ethoxyphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302952
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
N-(2-methoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 20948841
2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2024093
N-(2-ethoxyphenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 7190489
N-(5-chloro-2-methoxyphenyl)-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6469139
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
CID 46383879
N-(2-ethylphenyl)-2-[[4-(2-methoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1456061

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide (CID 95921612) is N-(2-methoxyphenyl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide is COc1ccccc1NC(=O)CSc1cc(-c2ccccn2)nc(C)n1.
What is the InChIKey of N-(2-methoxyphenyl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide?
The InChIKey is BKWRDLVQGPZOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-13-21-16(14-7-5-6-10-20-14)11-19(22-13)26-12-18(24)23-15-8-3-4-9-17(15)25-2/h3-11H,12H2,1-2H3,(H,23,24).
What are the key properties of N-(2-methoxyphenyl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide?
N-(2-methoxyphenyl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide has a molecular weight of 366.45 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 95921612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).