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

C19H16N4O2S — CID 122275772

IUPAC2-naphthalen-2-yloxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
SMILESO=C(COc1ccc2ccccc2c1)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C19H16N4O2S/c24-19(12-25-18-6-5-14-3-1-2-4-15(14)9-18)20-10-16-11-23(22-21-16)17-7-8-26-13-17/h1-9,11,13H,10,12H2,(H,20,24)
InChIKeyZTLXBAXBTXICGQ-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.18
Rot. Bonds6

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

2-naphthalen-2-yloxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide (PubChem CID 122275772) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
PubChem CID122275772
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name2-naphthalen-2-yloxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
SMILESO=C(COc1ccc2ccccc2c1)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C19H16N4O2S/c24-19(12-25-18-6-5-14-3-1-2-4-15(14)9-18)20-10-16-11-23(22-21-16)17-7-8-26-13-17/h1-9,11,13H,10,12H2,(H,20,24)
InChIKeyZTLXBAXBTXICGQ-UHFFFAOYSA-N
XLogP3.18
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide (CID 122275772) is 2-naphthalen-2-yloxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide is O=C(COc1ccc2ccccc2c1)NCc1cn(-c2ccsc2)nn1.
What is the InChIKey of 2-naphthalen-2-yloxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The InChIKey is ZTLXBAXBTXICGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c24-19(12-25-18-6-5-14-3-1-2-4-15(14)9-18)20-10-16-11-23(22-21-16)17-7-8-26-13-17/h1-9,11,13H,10,12H2,(H,20,24).
What are the key properties of 2-naphthalen-2-yloxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
2-naphthalen-2-yloxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide has a molecular weight of 364.43 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide is sourced from PubChem (CID 122275772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).