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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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).