N-(2-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide

C21H18N4O2S — CID 1426270

IUPACN-(2-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide
SMILESCCc1ccccc1NC(=O)Cn1nnc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C21H18N4O2S/c1-2-14-8-6-7-11-17(14)22-19(26)13-25-21(27)16-12-18(28-20(16)23-24-25)15-9-4-3-5-10-15/h3-12H,2,13H2,1H3,(H,22,26)
InChIKeyBYOQCXFBFSAUBU-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.72
Rot. Bonds5

About N-(2-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide

N-(2-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide (PubChem CID 1426270) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide
PubChem CID1426270
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-(2-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide
SMILESCCc1ccccc1NC(=O)Cn1nnc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C21H18N4O2S/c1-2-14-8-6-7-11-17(14)22-19(26)13-25-21(27)16-12-18(28-20(16)23-24-25)15-9-4-3-5-10-15/h3-12H,2,13H2,1H3,(H,22,26)
InChIKeyBYOQCXFBFSAUBU-UHFFFAOYSA-N
XLogP3.72
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409185
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide
CID 28527465
2-methylpropyl 2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetate
CID 1426420
1-[2-(2-ethylanilino)-2-oxoethyl]triazole-4,5-dicarboxylic acid
CID 20852247
ethyl (2R)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate
CID 1426430
N-(2,4-dimethylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409130
(2R)-N-(4-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide
CID 7540813
3-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanenitrile
CID 39158934
N-(2-fluoro-4-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9455084
N-(2,4-dimethoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409195
methyl (2S)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate
CID 1426424
N-(2-methoxy-5-methylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23410069

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide (CID 1426270) is N-(2-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide is CCc1ccccc1NC(=O)Cn1nnc2sc(-c3ccccc3)cc2c1=O.
What is the InChIKey of N-(2-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide?
The InChIKey is BYOQCXFBFSAUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-2-14-8-6-7-11-17(14)22-19(26)13-25-21(27)16-12-18(28-20(16)23-24-25)15-9-4-3-5-10-15/h3-12H,2,13H2,1H3,(H,22,26).
What are the key properties of N-(2-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide?
N-(2-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide has a molecular weight of 390.47 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide is sourced from PubChem (CID 1426270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).