2-(6-bromonaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)acetamide

C17H14BrNO2S — CID 40632818

IUPAC2-(6-bromonaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1ccc2cc(Br)ccc2c1)NCc1cccs1
InChIInChI=1S/C17H14BrNO2S/c18-14-5-3-13-9-15(6-4-12(13)8-14)21-11-17(20)19-10-16-2-1-7-22-16/h1-9H,10-11H2,(H,19,20)
InChIKeyAIASALMVUXNKFS-UHFFFAOYSA-N
MW376.28 g/mol
LogP4.36
Rot. Bonds5

About 2-(6-bromonaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)acetamide

2-(6-bromonaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 40632818) has the molecular formula C17H14BrNO2S and a molecular weight of 376.28 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)acetamide
PubChem CID40632818
Molecular FormulaC17H14BrNO2S
Molecular Weight376.28 g/mol
Exact Mass374.99
IUPAC Name2-(6-bromonaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1ccc2cc(Br)ccc2c1)NCc1cccs1
InChIInChI=1S/C17H14BrNO2S/c18-14-5-3-13-9-15(6-4-12(13)8-14)21-11-17(20)19-10-16-2-1-7-22-16/h1-9H,10-11H2,(H,19,20)
InChIKeyAIASALMVUXNKFS-UHFFFAOYSA-N
XLogP4.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)acetamide (CID 40632818) is 2-(6-bromonaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)acetamide is O=C(COc1ccc2cc(Br)ccc2c1)NCc1cccs1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is AIASALMVUXNKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2S/c18-14-5-3-13-9-15(6-4-12(13)8-14)21-11-17(20)19-10-16-2-1-7-22-16/h1-9H,10-11H2,(H,19,20).
What are the key properties of 2-(6-bromonaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)acetamide?
2-(6-bromonaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 376.28 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 40632818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).