N-(2-acetylphenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide

C21H20N4O2S — CID 6414174

IUPACN-(2-acetylphenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide
SMILESCCC(Sc1ncc(-c2ccccc2)nn1)C(=O)Nc1ccccc1C(C)=O
InChIInChI=1S/C21H20N4O2S/c1-3-19(20(27)23-17-12-8-7-11-16(17)14(2)26)28-21-22-13-18(24-25-21)15-9-5-4-6-10-15/h4-13,19H,3H2,1-2H3,(H,23,27)
InChIKeyHUDDNSBJQPJBPP-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.25
Rot. Bonds7

About N-(2-acetylphenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide

N-(2-acetylphenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide (PubChem CID 6414174) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide
PubChem CID6414174
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-(2-acetylphenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide
SMILESCCC(Sc1ncc(-c2ccccc2)nn1)C(=O)Nc1ccccc1C(C)=O
InChIInChI=1S/C21H20N4O2S/c1-3-19(20(27)23-17-12-8-7-11-16(17)14(2)26)28-21-22-13-18(24-25-21)15-9-5-4-6-10-15/h4-13,19H,3H2,1-2H3,(H,23,27)
InChIKeyHUDDNSBJQPJBPP-UHFFFAOYSA-N
XLogP4.25
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-acetylphenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide 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-(2-fluorophenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide
CID 46300902
N-(2,3-dimethylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide
CID 46304908
N-(2-methylphenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanamide
CID 46305121
2-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoylamino]benzamide
CID 23886369
2-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoylamino]benzamide
CID 23942416
N-(2-acetylphenyl)-2-methylpentanamide
CID 43183491
2-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)butanoylamino]benzoic acid
CID 23857896
N-(2-acetylphenyl)-2-propylpentanamide
CID 113329842
ethyl 4-amino-2-[1-(2-methoxyanilino)-1-oxobutan-2-yl]sulfanylpyrimidine-5-carboxylate
CID 50758202
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)butanamide
CID 23858334
N-(2-acetylphenyl)-4-phenylbenzamide
CID 4799727
N-(2-acetylphenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 51235335

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide?
The IUPAC name of N-(2-acetylphenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide (CID 6414174) is N-(2-acetylphenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide is CCC(Sc1ncc(-c2ccccc2)nn1)C(=O)Nc1ccccc1C(C)=O.
What is the InChIKey of N-(2-acetylphenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide?
The InChIKey is HUDDNSBJQPJBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-3-19(20(27)23-17-12-8-7-11-16(17)14(2)26)28-21-22-13-18(24-25-21)15-9-5-4-6-10-15/h4-13,19H,3H2,1-2H3,(H,23,27).
What are the key properties of N-(2-acetylphenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide?
N-(2-acetylphenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide has a molecular weight of 392.48 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide is sourced from PubChem (CID 6414174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).