N-[(4-methoxyphenyl)methyl]-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide

C14H16N4O3S — CID 135416764

IUPACN-[(4-methoxyphenyl)methyl]-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESCOc1ccc(CNC(=O)CSc2nnc(C)c(=O)[nH]2)cc1
InChIInChI=1S/C14H16N4O3S/c1-9-13(20)16-14(18-17-9)22-8-12(19)15-7-10-3-5-11(21-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,15,19)(H,16,18,20)
InChIKeyIPDKXAMZFUULBX-UHFFFAOYSA-N
MW320.37 g/mol
LogP0.89
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide

N-[(4-methoxyphenyl)methyl]-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide (PubChem CID 135416764) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
PubChem CID135416764
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESCOc1ccc(CNC(=O)CSc2nnc(C)c(=O)[nH]2)cc1
InChIInChI=1S/C14H16N4O3S/c1-9-13(20)16-14(18-17-9)22-8-12(19)15-7-10-3-5-11(21-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,15,19)(H,16,18,20)
InChIKeyIPDKXAMZFUULBX-UHFFFAOYSA-N
XLogP0.89
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(4-methoxyphenyl)methyl]-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide with MolForge

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Related Compounds

2-(4-Methoxyphenyl)-5-methyl-2,5-dihydro-1,3-thiazol-4-ol
CID 2839874
[2-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 4843293
2-(4-Methoxyphenyl)-1,3-thiazolidin-4-one
CID 3158592
(E)-2-((E)-benzylidenehydrazono)-3-(4-methoxybenzyl)thiazolidin-4-one
CID 6887275
2-[(3-tert-butyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 2551679
2-[(3-tert-butyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2566851
N-[(4-methoxyphenyl)methyl]-1,4-dithiane-2-carboxamide
CID 2999482
(6S)-1-[(4-methoxyphenyl)methyl]-6-(2-methylsulfanylethyl)piperazine-2,5-dione
CID 53305427
(6R)-1-[(4-methoxyphenyl)methyl]-6-(2-methylsulfanylethyl)piperazine-2,5-dione
CID 53305573
N-Benzo[1,3]dioxol-5-ylmethyl-2-(5-hydroxy-6-methyl-[1,2,4]triazin-3-ylsulfanyl)-acetamide
CID 135450646
3-[(3-fluorobenzyl)thio]-N-(4-methoxybenzyl)propanamide
CID 3429613
N-(4-methoxybenzyl)-3-[(4-methylbenzyl)thio]propanamide
CID 4086400

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide (CID 135416764) is N-[(4-methoxyphenyl)methyl]-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide is COc1ccc(CNC(=O)CSc2nnc(C)c(=O)[nH]2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The InChIKey is IPDKXAMZFUULBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-9-13(20)16-14(18-17-9)22-8-12(19)15-7-10-3-5-11(21-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,15,19)(H,16,18,20).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
N-[(4-methoxyphenyl)methyl]-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide has a molecular weight of 320.37 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 135416764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).