N-(2,5-dimethoxyphenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide

C18H18N4O4S — CID 7259156

IUPACN-(2,5-dimethoxyphenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nc(=O)n3ccc(C)cc3n2)c1
InChIInChI=1S/C18H18N4O4S/c1-11-6-7-22-15(8-11)20-17(21-18(22)24)27-10-16(23)19-13-9-12(25-2)4-5-14(13)26-3/h4-9H,10H2,1-3H3,(H,19,23)
InChIKeyPXITUCJFIUKUPS-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.15
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide

N-(2,5-dimethoxyphenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (PubChem CID 7259156) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
PubChem CID7259156
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nc(=O)n3ccc(C)cc3n2)c1
InChIInChI=1S/C18H18N4O4S/c1-11-6-7-22-15(8-11)20-17(21-18(22)24)27-10-16(23)19-13-9-12(25-2)4-5-14(13)26-3/h4-9H,10H2,1-3H3,(H,19,23)
InChIKeyPXITUCJFIUKUPS-UHFFFAOYSA-N
XLogP2.15
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 17434098
2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 7259216
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907113
2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 6402774
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 3374727
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
N-(2,5-dimethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878698
N-(2,5-dimethoxyphenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 3171524
2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 8708070
N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2609676
2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (CID 7259156) is N-(2,5-dimethoxyphenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is COc1ccc(OC)c(NC(=O)CSc2nc(=O)n3ccc(C)cc3n2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The InChIKey is PXITUCJFIUKUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-11-6-7-22-15(8-11)20-17(21-18(22)24)27-10-16(23)19-13-9-12(25-2)4-5-14(13)26-3/h4-9H,10H2,1-3H3,(H,19,23).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
N-(2,5-dimethoxyphenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide has a molecular weight of 386.43 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is sourced from PubChem (CID 7259156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).