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

C18H17F3N4O3S — CID 33370687

IUPAC2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESCCn1c(SCC(=O)Nc2ccccc2OCC(F)(F)F)nnc1-c1ccco1
InChIInChI=1S/C18H17F3N4O3S/c1-2-25-16(14-8-5-9-27-14)23-24-17(25)29-10-15(26)22-12-6-3-4-7-13(12)28-11-18(19,20)21/h3-9H,2,10-11H2,1H3,(H,22,26)
InChIKeyGOJIDRKXWRFNNV-UHFFFAOYSA-N
MW426.42 g/mol
LogP4.23
Rot. Bonds8

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

2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 33370687) has the molecular formula C18H17F3N4O3S and a molecular weight of 426.42 g/mol. Its IUPAC name is 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
PubChem CID33370687
Molecular FormulaC18H17F3N4O3S
Molecular Weight426.42 g/mol
Exact Mass426.10
IUPAC Name2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESCCn1c(SCC(=O)Nc2ccccc2OCC(F)(F)F)nnc1-c1ccco1
InChIInChI=1S/C18H17F3N4O3S/c1-2-25-16(14-8-5-9-27-14)23-24-17(25)29-10-15(26)22-12-6-3-4-7-13(12)28-11-18(19,20)21/h3-9H,2,10-11H2,1H3,(H,22,26)
InChIKeyGOJIDRKXWRFNNV-UHFFFAOYSA-N
XLogP4.23
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide with MolForge

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Related Compounds

2-[[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
CID 17378069
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 3149091
N-(3-chloro-2-methylphenyl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1081734
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylindol-7-yl)acetamide
CID 90366681
N-(4-acetamidophenyl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1071854
N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-phenylphenoxy)acetohydrazide
CID 4790941
N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-nitrophenoxy)acetohydrazide
CID 34060706
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,2-oxazol-3-yl)acetamide
CID 17424886
N-(2-ethoxyphenyl)-2-[[4-ethyl-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1242048
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide
CID 71006391
dimethyl 2-[[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate
CID 19724230
N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-phenylacetohydrazide
CID 18159501

Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The IUPAC name of 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 33370687) is 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The canonical SMILES for 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide is CCn1c(SCC(=O)Nc2ccccc2OCC(F)(F)F)nnc1-c1ccco1.
What is the InChIKey of 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The InChIKey is GOJIDRKXWRFNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O3S/c1-2-25-16(14-8-5-9-27-14)23-24-17(25)29-10-15(26)22-12-6-3-4-7-13(12)28-11-18(19,20)21/h3-9H,2,10-11H2,1H3,(H,22,26).
What are the key properties of 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide has a molecular weight of 426.42 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 33370687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).