2-(2,6-dibromophenoxy)-N-(2-thiophen-2-ylethyl)acetamide

C14H13Br2NO2S — CID 47449504

IUPAC2-(2,6-dibromophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(COc1c(Br)cccc1Br)NCCc1cccs1
InChIInChI=1S/C14H13Br2NO2S/c15-11-4-1-5-12(16)14(11)19-9-13(18)17-7-6-10-3-2-8-20-10/h1-5,8H,6-7,9H2,(H,17,18)
InChIKeyXGZBSZQVZKQILH-UHFFFAOYSA-N
MW419.14 g/mol
LogP4.01
Rot. Bonds6

About 2-(2,6-dibromophenoxy)-N-(2-thiophen-2-ylethyl)acetamide

2-(2,6-dibromophenoxy)-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 47449504) has the molecular formula C14H13Br2NO2S and a molecular weight of 419.14 g/mol. Its IUPAC name is 2-(2,6-dibromophenoxy)-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dibromophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID47449504
Molecular FormulaC14H13Br2NO2S
Molecular Weight419.14 g/mol
Exact Mass416.90
IUPAC Name2-(2,6-dibromophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(COc1c(Br)cccc1Br)NCCc1cccs1
InChIInChI=1S/C14H13Br2NO2S/c15-11-4-1-5-12(16)14(11)19-9-13(18)17-7-6-10-3-2-8-20-10/h1-5,8H,6-7,9H2,(H,17,18)
InChIKeyXGZBSZQVZKQILH-UHFFFAOYSA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.14
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 27770102
2-(6-bromonaphthalen-2-yl)oxy-N-(2-thiophen-2-ylethyl)acetamide
CID 7604570
2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 7604220
3-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 103977019
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
3-bromo-N-(2-thiophen-2-ylethyl)propanamide
CID 82109303
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 8951230
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] naphthalene-1-carboxylate
CID 8936148
2-thiophen-2-yl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 108541512
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 27770063
4-hydroxy-N-(2-thiophen-2-ylethyl)butanamide
CID 13185709
2-(2,6-dibromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 47449431

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromophenoxy)-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(2,6-dibromophenoxy)-N-(2-thiophen-2-ylethyl)acetamide (CID 47449504) is 2-(2,6-dibromophenoxy)-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(2,6-dibromophenoxy)-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(2,6-dibromophenoxy)-N-(2-thiophen-2-ylethyl)acetamide is O=C(COc1c(Br)cccc1Br)NCCc1cccs1.
What is the InChIKey of 2-(2,6-dibromophenoxy)-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is XGZBSZQVZKQILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO2S/c15-11-4-1-5-12(16)14(11)19-9-13(18)17-7-6-10-3-2-8-20-10/h1-5,8H,6-7,9H2,(H,17,18).
What are the key properties of 2-(2,6-dibromophenoxy)-N-(2-thiophen-2-ylethyl)acetamide?
2-(2,6-dibromophenoxy)-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 419.14 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromophenoxy)-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 47449504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).