2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide

C15H14N4O2S — CID 46869677

IUPAC2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccsc2-n2nccn2)cc1
InChIInChI=1S/C15H14N4O2S/c1-21-12-4-2-11(3-5-12)10-14(20)18-13-6-9-22-15(13)19-16-7-8-17-19/h2-9H,10H2,1H3,(H,18,20)
InChIKeyKHIAZVHADWMRSJ-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.52
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide

2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide (PubChem CID 46869677) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide
PubChem CID46869677
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccsc2-n2nccn2)cc1
InChIInChI=1S/C15H14N4O2S/c1-21-12-4-2-11(3-5-12)10-14(20)18-13-6-9-22-15(13)19-16-7-8-17-19/h2-9H,10H2,1H3,(H,18,20)
InChIKeyKHIAZVHADWMRSJ-UHFFFAOYSA-N
XLogP2.52
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-5-thiophen-2-ylphenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propanamide
CID 172461766
3-(4-Methoxyphenyl)-N-[2-methyl-5-(1H-pyrazol-5-YL)thiophen-3-YL]propanamide
CID 53163516
2-(2-methoxyphenyl)-N-{[1-(thiophen-3-yl)-1H-1,2,3-triazol-4-yl]methyl}acetamide
CID 122162223
N-(2-(1H-pyrazol-1-yl)thiophen-3-yl)-2-(4-methoxyphenyl)acetamide
CID 46869150
2-(4-Methoxyphenyl)-N-(2-(4-methyl-1H-pyrazol-1-yl)thiophen-3-yl)acetamide
CID 46869151
N-[2-(1-butyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)thiophene-3-carboxamide
CID 164666335
N-[2-(3,4-dimethyl-3H-pyridazin-2-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide
CID 90729505
N-[(E)-1-(4-methoxyphenyl)pent-2-en-2-yl]-2-(triazol-2-yl)thiophen-3-amine
CID 144037242
2-(4-methoxy-3-methylphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide
CID 155605834
N-[2-(5-ethylpyrazol-1-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide
CID 163992035
2-(4-methoxyphenyl)-N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)acetamide
CID 10408015
2-(4-methoxyphenyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide
CID 92108923

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide (CID 46869677) is 2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide is COc1ccc(CC(=O)Nc2ccsc2-n2nccn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide?
The InChIKey is KHIAZVHADWMRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-21-12-4-2-11(3-5-12)10-14(20)18-13-6-9-22-15(13)19-16-7-8-17-19/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of 2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide?
2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide has a molecular weight of 314.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide is sourced from PubChem (CID 46869677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).