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

C17H15FN4O2S — CID 6459091

IUPACN-(2-fluorophenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCOc1ccccc1-c1nc(SCC(=O)Nc2ccccc2F)n[nH]1
InChIInChI=1S/C17H15FN4O2S/c1-24-14-9-5-2-6-11(14)16-20-17(22-21-16)25-10-15(23)19-13-8-4-3-7-12(13)18/h2-9H,10H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyRFOXIGSUGYNNJH-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.35
Rot. Bonds6

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

N-(2-fluorophenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 6459091) has the molecular formula C17H15FN4O2S and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID6459091
Molecular FormulaC17H15FN4O2S
Molecular Weight358.40 g/mol
Exact Mass358.09
IUPAC NameN-(2-fluorophenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCOc1ccccc1-c1nc(SCC(=O)Nc2ccccc2F)n[nH]1
InChIInChI=1S/C17H15FN4O2S/c1-24-14-9-5-2-6-11(14)16-20-17(22-21-16)25-10-15(23)19-13-8-4-3-7-12(13)18/h2-9H,10H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyRFOXIGSUGYNNJH-UHFFFAOYSA-N
XLogP3.35
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 6459091) is N-(2-fluorophenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is COc1ccccc1-c1nc(SCC(=O)Nc2ccccc2F)n[nH]1.
What is the InChIKey of N-(2-fluorophenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is RFOXIGSUGYNNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2S/c1-24-14-9-5-2-6-11(14)16-20-17(22-21-16)25-10-15(23)19-13-8-4-3-7-12(13)18/h2-9H,10H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of N-(2-fluorophenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(2-fluorophenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 358.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 6459091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).