2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(4-methylphenyl)acetamide

C19H20N4O2S — CID 56726239

IUPAC2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)c2nnc(Cc3ccccc3)n2C)cc1
InChIInChI=1S/C19H20N4O2S/c1-14-8-10-16(11-9-14)20-18(24)13-26(25)19-22-21-17(23(19)2)12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,20,24)
InChIKeyYJPJSLCMAFOBPR-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.46
Rot. Bonds6

About 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(4-methylphenyl)acetamide

2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(4-methylphenyl)acetamide (PubChem CID 56726239) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(4-methylphenyl)acetamide
PubChem CID56726239
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)c2nnc(Cc3ccccc3)n2C)cc1
InChIInChI=1S/C19H20N4O2S/c1-14-8-10-16(11-9-14)20-18(24)13-26(25)19-22-21-17(23(19)2)12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,20,24)
InChIKeyYJPJSLCMAFOBPR-UHFFFAOYSA-N
XLogP2.46
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide
CID 95169335
4-[[2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 7363166
N-(4-methylphenyl)-2-(trimethylsilylmethylsulfinothioyl)acetamide
CID 54179584
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 18285275
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
2-[2-(4-methylanilino)-2-oxoethyl]sulfinylpropanoic acid
CID 54883354
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 3135779
3-[[2-(4-methylanilino)-2-oxoethyl]sulfinylmethyl]benzoic acid
CID 123098878
N-(4-methylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 783683
N-(3-acetylphenyl)-2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7714618
N-[[4-methyl-5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
CID 126168835

Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(4-methylphenyl)acetamide (CID 56726239) is 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CS(=O)c2nnc(Cc3ccccc3)n2C)cc1.
What is the InChIKey of 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(4-methylphenyl)acetamide?
The InChIKey is YJPJSLCMAFOBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-14-8-10-16(11-9-14)20-18(24)13-26(25)19-22-21-17(23(19)2)12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,20,24).
What are the key properties of 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(4-methylphenyl)acetamide?
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(4-methylphenyl)acetamide has a molecular weight of 368.46 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 56726239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).