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

C16H13F3N4O2S — CID 46869740

IUPAC2-(4-methoxyphenyl)-N-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccsc2-c2n[nH]c(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H13F3N4O2S/c1-25-10-4-2-9(3-5-10)8-12(24)20-11-6-7-26-13(11)14-21-15(23-22-14)16(17,18)19/h2-7H,8H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyWKKHWEMTBODBGE-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.74
Rot. Bonds5

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

2-(4-methoxyphenyl)-N-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide (PubChem CID 46869740) has the molecular formula C16H13F3N4O2S and a molecular weight of 382.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide
PubChem CID46869740
Molecular FormulaC16H13F3N4O2S
Molecular Weight382.37 g/mol
Exact Mass382.07
IUPAC Name2-(4-methoxyphenyl)-N-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccsc2-c2n[nH]c(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H13F3N4O2S/c1-25-10-4-2-9(3-5-10)8-12(24)20-11-6-7-26-13(11)14-21-15(23-22-14)16(17,18)19/h2-7H,8H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyWKKHWEMTBODBGE-UHFFFAOYSA-N
XLogP3.74
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[2-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide
CID 46869739
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-(4-methoxyphenyl)acetamide
CID 53163758
3-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-2-carboxamide
CID 68754317
2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 668862
2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
2-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 690614
2-(3,5-dimethoxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]acetamide
CID 53163730
2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83093707
N-(2,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535021
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833
N-(3-fluoro-4-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 75482660
3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528429

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide (CID 46869740) is 2-(4-methoxyphenyl)-N-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide is COc1ccc(CC(=O)Nc2ccsc2-c2n[nH]c(C(F)(F)F)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide?
The InChIKey is WKKHWEMTBODBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2S/c1-25-10-4-2-9(3-5-10)8-12(24)20-11-6-7-26-13(11)14-21-15(23-22-14)16(17,18)19/h2-7H,8H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-(4-methoxyphenyl)-N-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide?
2-(4-methoxyphenyl)-N-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide has a molecular weight of 382.37 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide is sourced from PubChem (CID 46869740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).