N-(2-ethoxyphenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide

C18H18N4O3S — CID 7259298

IUPACN-(2-ethoxyphenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1nc(=O)n2cccc(C)c2n1
InChIInChI=1S/C18H18N4O3S/c1-3-25-14-9-5-4-8-13(14)19-15(23)11-26-17-20-16-12(2)7-6-10-22(16)18(24)21-17/h4-10H,3,11H2,1-2H3,(H,19,23)
InChIKeyTYXBDWIFDKYNRK-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.53
Rot. Bonds6

About N-(2-ethoxyphenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide

N-(2-ethoxyphenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (PubChem CID 7259298) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
PubChem CID7259298
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-(2-ethoxyphenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1nc(=O)n2cccc(C)c2n1
InChIInChI=1S/C18H18N4O3S/c1-3-25-14-9-5-4-8-13(14)19-15(23)11-26-17-20-16-12(2)7-6-10-22(16)18(24)21-17/h4-10H,3,11H2,1-2H3,(H,19,23)
InChIKeyTYXBDWIFDKYNRK-UHFFFAOYSA-N
XLogP2.53
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-acetamidophenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259317
N-(3-fluorophenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259291
2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 17288753
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 3151668
N-(2-ethoxyphenyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7818642
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 135495486
N-(2-ethoxyphenyl)-2-quinoxalin-2-ylsulfanylacetamide
CID 34905335
N-(2-ethoxyphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135466669
2-[[5-[(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 20899079
2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7259332
N-(2-ethoxyphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 30595241

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (CID 7259298) is N-(2-ethoxyphenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is CCOc1ccccc1NC(=O)CSc1nc(=O)n2cccc(C)c2n1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The InChIKey is TYXBDWIFDKYNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-3-25-14-9-5-4-8-13(14)19-15(23)11-26-17-20-16-12(2)7-6-10-22(16)18(24)21-17/h4-10H,3,11H2,1-2H3,(H,19,23).
What are the key properties of N-(2-ethoxyphenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
N-(2-ethoxyphenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide has a molecular weight of 370.43 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is sourced from PubChem (CID 7259298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).