2-(2H-triazol-4-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide

C11H9F3N4O2S — CID 71296686

IUPAC2-(2H-triazol-4-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CSc1cn[nH]n1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H9F3N4O2S/c12-11(13,14)20-8-3-1-7(2-4-8)16-9(19)6-21-10-5-15-18-17-10/h1-5H,6H2,(H,16,19)(H,15,17,18)
InChIKeyJBWOHKKXJUQJAP-UHFFFAOYSA-N
MW318.28 g/mol
LogP2.43
Rot. Bonds5

About 2-(2H-triazol-4-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(2H-triazol-4-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 71296686) has the molecular formula C11H9F3N4O2S and a molecular weight of 318.28 g/mol. Its IUPAC name is 2-(2H-triazol-4-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2H-triazol-4-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID71296686
Molecular FormulaC11H9F3N4O2S
Molecular Weight318.28 g/mol
Exact Mass318.04
IUPAC Name2-(2H-triazol-4-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CSc1cn[nH]n1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H9F3N4O2S/c12-11(13,14)20-8-3-1-7(2-4-8)16-9(19)6-21-10-5-15-18-17-10/h1-5H,6H2,(H,16,19)(H,15,17,18)
InChIKeyJBWOHKKXJUQJAP-UHFFFAOYSA-N
XLogP2.43
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6411119
2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 30595777
2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 41005994
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 700874
2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 30117066
N-[4-(trifluoromethoxy)phenyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 17024194
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 3300381
2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5130921
2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 168583911
2-(4-nitrophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2083460
2-(2H-triazol-4-ylsulfanyl)-N-[4-[5-[[2-(2H-triazol-4-ylsulfanyl)acetyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamide
CID 17325114
2-(1H-indol-3-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4164690

Frequently Asked Questions

What is the IUPAC name of 2-(2H-triazol-4-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(2H-triazol-4-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 71296686) is 2-(2H-triazol-4-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2H-triazol-4-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2H-triazol-4-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(CSc1cn[nH]n1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(2H-triazol-4-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is JBWOHKKXJUQJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2S/c12-11(13,14)20-8-3-1-7(2-4-8)16-9(19)6-21-10-5-15-18-17-10/h1-5H,6H2,(H,16,19)(H,15,17,18).
What are the key properties of 2-(2H-triazol-4-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(2H-triazol-4-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 318.28 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-triazol-4-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 71296686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).