N-(3-acetamidophenyl)-2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide

C21H22N6O2S — CID 41160346

IUPACN-(3-acetamidophenyl)-2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2nnc3n2CCN3c2ccc(C)cc2)c1
InChIInChI=1S/C21H22N6O2S/c1-14-6-8-18(9-7-14)26-10-11-27-20(26)24-25-21(27)30-13-19(29)23-17-5-3-4-16(12-17)22-15(2)28/h3-9,12H,10-11,13H2,1-2H3,(H,22,28)(H,23,29)
InChIKeyNDACPJXTHFHJLL-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.43
Rot. Bonds6

About N-(3-acetamidophenyl)-2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide

N-(3-acetamidophenyl)-2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide (PubChem CID 41160346) has the molecular formula C21H22N6O2S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
PubChem CID41160346
Molecular FormulaC21H22N6O2S
Molecular Weight422.51 g/mol
Exact Mass422.15
IUPAC NameN-(3-acetamidophenyl)-2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2nnc3n2CCN3c2ccc(C)cc2)c1
InChIInChI=1S/C21H22N6O2S/c1-14-6-8-18(9-7-14)26-10-11-27-20(26)24-25-21(27)30-13-19(29)23-17-5-3-4-16(12-17)22-15(2)28/h3-9,12H,10-11,13H2,1-2H3,(H,22,28)(H,23,29)
InChIKeyNDACPJXTHFHJLL-UHFFFAOYSA-N
XLogP3.43
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 41160337
2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 41160338
2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 41160312
2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
CID 41160341
N-(3,5-dimethylphenyl)-2-[[7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
CID 27476164
N-(2-methoxyphenyl)-2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
CID 41160326
2-[[7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
CID 41160253
2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-1-phenylethanone
CID 41160498
2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 18901028
N-(1,3-benzodioxol-5-yl)-2-[[7-(4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
CID 41160271
2-[[7-(4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 27652710
7-(4-methylphenyl)-3-methylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
CID 41160459

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide (CID 41160346) is N-(3-acetamidophenyl)-2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide is CC(=O)Nc1cccc(NC(=O)CSc2nnc3n2CCN3c2ccc(C)cc2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide?
The InChIKey is NDACPJXTHFHJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2S/c1-14-6-8-18(9-7-14)26-10-11-27-20(26)24-25-21(27)30-13-19(29)23-17-5-3-4-16(12-17)22-15(2)28/h3-9,12H,10-11,13H2,1-2H3,(H,22,28)(H,23,29).
What are the key properties of N-(3-acetamidophenyl)-2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide?
N-(3-acetamidophenyl)-2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide has a molecular weight of 422.51 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 41160346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).