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

C24H17F2N7OS — CID 112835229

IUPAC2-[[5-(2-fluorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(triazol-1-yl)phenyl]acetamide
SMILESO=C(CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1)Nc1ccccc1-n1ccnn1
InChIInChI=1S/C24H17F2N7OS/c25-16-9-11-17(12-10-16)33-23(18-5-1-2-6-19(18)26)29-30-24(33)35-15-22(34)28-20-7-3-4-8-21(20)32-14-13-27-31-32/h1-14H,15H2,(H,28,34)
InChIKeyXVPAEORAZDBZGA-UHFFFAOYSA-N
MW489.51 g/mol
LogP4.52
Rot. Bonds7

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

2-[[5-(2-fluorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(triazol-1-yl)phenyl]acetamide (PubChem CID 112835229) has the molecular formula C24H17F2N7OS and a molecular weight of 489.51 g/mol. Its IUPAC name is 2-[[5-(2-fluorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(triazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[5-(2-fluorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(triazol-1-yl)phenyl]acetamide
PubChem CID112835229
Molecular FormulaC24H17F2N7OS
Molecular Weight489.51 g/mol
Exact Mass489.12
IUPAC Name2-[[5-(2-fluorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(triazol-1-yl)phenyl]acetamide
SMILESO=C(CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1)Nc1ccccc1-n1ccnn1
InChIInChI=1S/C24H17F2N7OS/c25-16-9-11-17(12-10-16)33-23(18-5-1-2-6-19(18)26)29-30-24(33)35-15-22(34)28-20-7-3-4-8-21(20)32-14-13-27-31-32/h1-14H,15H2,(H,28,34)
InChIKeyXVPAEORAZDBZGA-UHFFFAOYSA-N
XLogP4.52
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.51
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,3-dimethylphenyl)-2-[[5-(2-fluorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 26538361
N-(5-fluoro-2-methylphenyl)-2-[[5-(2-fluorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 26410656
2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylsulfonylphenyl)acetamide
CID 55418151
2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 55447493
2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propoxyphenyl)acetamide
CID 16546925
2-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 4570318
N-(2,5-difluorophenyl)-2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 35589853
2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 28698663
N-(2-ethylphenyl)-2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1317238
N-(2-ethoxyphenyl)-2-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4059356
N-(2-acetylphenyl)-2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4852750
2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 8762685

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-fluorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(triazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[[5-(2-fluorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(triazol-1-yl)phenyl]acetamide (CID 112835229) is 2-[[5-(2-fluorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(triazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[[5-(2-fluorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(triazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[[5-(2-fluorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(triazol-1-yl)phenyl]acetamide is O=C(CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1)Nc1ccccc1-n1ccnn1.
What is the InChIKey of 2-[[5-(2-fluorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(triazol-1-yl)phenyl]acetamide?
The InChIKey is XVPAEORAZDBZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N7OS/c25-16-9-11-17(12-10-16)33-23(18-5-1-2-6-19(18)26)29-30-24(33)35-15-22(34)28-20-7-3-4-8-21(20)32-14-13-27-31-32/h1-14H,15H2,(H,28,34).
What are the key properties of 2-[[5-(2-fluorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(triazol-1-yl)phenyl]acetamide?
2-[[5-(2-fluorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(triazol-1-yl)phenyl]acetamide has a molecular weight of 489.51 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-fluorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(triazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 112835229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).