2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide

C13H14N4O4S — CID 134064765

IUPAC2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2n[nH]c(=O)[nH]c2=O)c(C)c1
InChIInChI=1S/C13H14N4O4S/c1-7-5-8(21-2)3-4-9(7)14-10(18)6-22-12-11(19)15-13(20)17-16-12/h3-5H,6H2,1-2H3,(H,14,18)(H2,15,17,19,20)
InChIKeyZWKBWPUPTUPVCI-UHFFFAOYSA-N
MW322.35 g/mol
LogP0.51
Rot. Bonds5

About 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide

2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide (PubChem CID 134064765) has the molecular formula C13H14N4O4S and a molecular weight of 322.35 g/mol. Its IUPAC name is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide
PubChem CID134064765
Molecular FormulaC13H14N4O4S
Molecular Weight322.35 g/mol
Exact Mass322.07
IUPAC Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2n[nH]c(=O)[nH]c2=O)c(C)c1
InChIInChI=1S/C13H14N4O4S/c1-7-5-8(21-2)3-4-9(7)14-10(18)6-22-12-11(19)15-13(20)17-16-12/h3-5H,6H2,1-2H3,(H,14,18)(H2,15,17,19,20)
InChIKeyZWKBWPUPTUPVCI-UHFFFAOYSA-N
XLogP0.51
TPSA116.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxy-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 9458130
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110377358
ethyl 2-[[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetyl]amino]benzoate
CID 2063087
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide
CID 134064767
2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide
CID 4041341
N-(4-methoxy-2-methylphenyl)-3-oxobutanamide
CID 20565334
3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 134064600
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136911152
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 110338201
3-amino-N-(4-methoxy-2-methylphenyl)-3-sulfanylidenepropanamide
CID 62872080

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide?
The IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide (CID 134064765) is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide?
The canonical SMILES for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide is COc1ccc(NC(=O)CSc2n[nH]c(=O)[nH]c2=O)c(C)c1.
What is the InChIKey of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide?
The InChIKey is ZWKBWPUPTUPVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4S/c1-7-5-8(21-2)3-4-9(7)14-10(18)6-22-12-11(19)15-13(20)17-16-12/h3-5H,6H2,1-2H3,(H,14,18)(H2,15,17,19,20).
What are the key properties of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide?
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide has a molecular weight of 322.35 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide is sourced from PubChem (CID 134064765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).