2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide

C23H20N4OS — CID 17288710

IUPAC2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C23H20N4OS/c1-17-10-8-9-15-20(17)24-21(28)16-29-23-25-22(18-11-4-2-5-12-18)27(26-23)19-13-6-3-7-14-19/h2-15H,16H2,1H3,(H,24,28)
InChIKeyFEQSEFSQHYBEDO-UHFFFAOYSA-N
MW400.51 g/mol
LogP4.97
Rot. Bonds6

About 2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide

2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide (PubChem CID 17288710) has the molecular formula C23H20N4OS and a molecular weight of 400.51 g/mol. Its IUPAC name is 2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide
PubChem CID17288710
Molecular FormulaC23H20N4OS
Molecular Weight400.51 g/mol
Exact Mass400.14
IUPAC Name2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C23H20N4OS/c1-17-10-8-9-15-20(17)24-21(28)16-29-23-25-22(18-11-4-2-5-12-18)27(26-23)19-13-6-3-7-14-19/h2-15H,16H2,1H3,(H,24,28)
InChIKeyFEQSEFSQHYBEDO-UHFFFAOYSA-N
XLogP4.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 17288753
N-tert-butyl-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17288734
N-(2,5-difluorophenyl)-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17288806
2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 17288801
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 39922720
N-(3-chloro-4-methoxyphenyl)-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17077496
2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide
CID 17288729
2-[2-(2-methylanilino)-2-oxoethyl]sulfanylquinazoline-4-carboxylic acid
CID 44723920
2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 17288834
propan-2-yl 2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 17288856
N-(5-chloro-2-methylphenyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7996181
N-(2-methylphenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
CID 17475609

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide (CID 17288710) is 2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide?
The InChIKey is FEQSEFSQHYBEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4OS/c1-17-10-8-9-15-20(17)24-21(28)16-29-23-25-22(18-11-4-2-5-12-18)27(26-23)19-13-6-3-7-14-19/h2-15H,16H2,1H3,(H,24,28).
What are the key properties of 2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide?
2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide has a molecular weight of 400.51 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 17288710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).