2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide

C16H16N4O2S — CID 122275687

IUPAC2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
SMILESCCOc1ccccc1C(=O)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C16H16N4O2S/c1-2-22-15-6-4-3-5-14(15)16(21)17-9-12-10-20(19-18-12)13-7-8-23-11-13/h3-8,10-11H,2,9H2,1H3,(H,17,21)
InChIKeyGORYXQAZZWVJAK-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.66
Rot. Bonds6

About 2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide

2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide (PubChem CID 122275687) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
PubChem CID122275687
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
SMILESCCOc1ccccc1C(=O)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C16H16N4O2S/c1-2-22-15-6-4-3-5-14(15)16(21)17-9-12-10-20(19-18-12)13-7-8-23-11-13/h3-8,10-11H,2,9H2,1H3,(H,17,21)
InChIKeyGORYXQAZZWVJAK-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide?
The IUPAC name of 2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide (CID 122275687) is 2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide is CCOc1ccccc1C(=O)NCc1cn(-c2ccsc2)nn1.
What is the InChIKey of 2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide?
The InChIKey is GORYXQAZZWVJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-2-22-15-6-4-3-5-14(15)16(21)17-9-12-10-20(19-18-12)13-7-8-23-11-13/h3-8,10-11H,2,9H2,1H3,(H,17,21).
What are the key properties of 2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide?
2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide has a molecular weight of 328.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide is sourced from PubChem (CID 122275687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).