2-(2-methoxyphenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide

C16H16N4O2S — CID 122162223

IUPAC2-(2-methoxyphenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
SMILESCOc1ccccc1CC(=O)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C16H16N4O2S/c1-22-15-5-3-2-4-12(15)8-16(21)17-9-13-10-20(19-18-13)14-6-7-23-11-14/h2-7,10-11H,8-9H2,1H3,(H,17,21)
InChIKeyRECJGDYXLPYVCO-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.20
Rot. Bonds6

About 2-(2-methoxyphenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide

2-(2-methoxyphenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide (PubChem CID 122162223) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
PubChem CID122162223
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-(2-methoxyphenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
SMILESCOc1ccccc1CC(=O)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C16H16N4O2S/c1-22-15-5-3-2-4-12(15)8-16(21)17-9-13-10-20(19-18-13)14-6-7-23-11-14/h2-7,10-11H,8-9H2,1H3,(H,17,21)
InChIKeyRECJGDYXLPYVCO-UHFFFAOYSA-N
XLogP2.20
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-(2H-1,2,3-triazol-2-yl)thiophen-3-yl)-2-(4-methoxyphenyl)acetamide
CID 46869677
2-(4-Methoxyphenyl)-N-(2-(pyrazin-2-yl)thiophen-3-yl)acetamide
CID 52941286
N-(2-amino-5-thiophen-3-ylphenyl)-3-[1-[2-(2-methoxyphenyl)ethyl]triazol-4-yl]propanamide
CID 172441899
N-(2-amino-5-thiophen-3-ylphenyl)-3-[1-(4-methoxyphenyl)triazol-4-yl]propanamide
CID 172443004
N-(2-amino-5-thiophen-2-ylphenyl)-3-[1-(4-methoxyphenyl)triazol-4-yl]propanamide
CID 172447238
N-(2-amino-5-thiophen-2-ylphenyl)-3-[1-[2-(2-methoxyphenyl)ethyl]triazol-4-yl]propanamide
CID 172450538
N-[4-[1-(4-methoxyphenyl)triazol-4-yl]phenyl]-4-methylthiophene-2-carboxamide
CID 177377002
N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 177650353
N-[1-[4-(4-methyltriazol-1-yl)butyl]-2-oxo-4-pyridinyl]-2-thiophen-2-ylacetamide;N-[[3-(trifluoromethoxy)phenyl]methyl]formamide
CID 144993293
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide (CID 122162223) is 2-(2-methoxyphenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide is COc1ccccc1CC(=O)NCc1cn(-c2ccsc2)nn1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The InChIKey is RECJGDYXLPYVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-22-15-5-3-2-4-12(15)8-16(21)17-9-13-10-20(19-18-13)14-6-7-23-11-14/h2-7,10-11H,8-9H2,1H3,(H,17,21).
What are the key properties of 2-(2-methoxyphenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
2-(2-methoxyphenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide has a molecular weight of 328.40 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide is sourced from PubChem (CID 122162223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).