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

C16H16N4O2S — CID 122275688

IUPAC4-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2cn(-c3ccsc3)nn2)cc1
InChIInChI=1S/C16H16N4O2S/c1-2-22-15-5-3-12(4-6-15)16(21)17-9-13-10-20(19-18-13)14-7-8-23-11-14/h3-8,10-11H,2,9H2,1H3,(H,17,21)
InChIKeyGVDVHANKQPENMM-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.66
Rot. Bonds6

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

4-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide (PubChem CID 122275688) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 4-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
PubChem CID122275688
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name4-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2cn(-c3ccsc3)nn2)cc1
InChIInChI=1S/C16H16N4O2S/c1-2-22-15-5-3-12(4-6-15)16(21)17-9-13-10-20(19-18-13)14-7-8-23-11-14/h3-8,10-11H,2,9H2,1H3,(H,17,21)
InChIKeyGVDVHANKQPENMM-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 4-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide?
The IUPAC name of 4-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide (CID 122275688) is 4-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide is CCOc1ccc(C(=O)NCc2cn(-c3ccsc3)nn2)cc1.
What is the InChIKey of 4-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide?
The InChIKey is GVDVHANKQPENMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-2-22-15-5-3-12(4-6-15)16(21)17-9-13-10-20(19-18-13)14-7-8-23-11-14/h3-8,10-11H,2,9H2,1H3,(H,17,21).
What are the key properties of 4-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide?
4-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 4-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide is sourced from PubChem (CID 122275688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).