2-(3-bromophenoxy)-N-(1-thiophen-2-ylethyl)acetamide

C14H14BrNO2S — CID 18170277

IUPAC2-(3-bromophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)COc1cccc(Br)c1)c1cccs1
InChIInChI=1S/C14H14BrNO2S/c1-10(13-6-3-7-19-13)16-14(17)9-18-12-5-2-4-11(15)8-12/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeySYOYJJIXPAMIKC-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.77
Rot. Bonds5

About 2-(3-bromophenoxy)-N-(1-thiophen-2-ylethyl)acetamide

2-(3-bromophenoxy)-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 18170277) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID18170277
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name2-(3-bromophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)COc1cccc(Br)c1)c1cccs1
InChIInChI=1S/C14H14BrNO2S/c1-10(13-6-3-7-19-13)16-14(17)9-18-12-5-2-4-11(15)8-12/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeySYOYJJIXPAMIKC-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 18170275
2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 7948924
2-[(2,6-dimethyl-4-pyridinyl)oxy]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 99621957
2-(3-methylphenoxy)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 9051743
2-(3-bromophenoxy)-N-[1-(furan-2-yl)ethyl]acetamide
CID 18196815
2-(2-bromophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7847611
2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 3530351
2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 99823338
N'-[2-(3-bromophenoxy)acetyl]thiophene-2-carbohydrazide
CID 35933556
2-[[2-(3-bromophenoxy)acetyl]amino]butanoic acid
CID 43387178
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 5-bromo-2-hydroxybenzoate
CID 8022071
2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylpentanamide
CID 78773270

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(1-thiophen-2-ylethyl)acetamide (CID 18170277) is 2-(3-bromophenoxy)-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(1-thiophen-2-ylethyl)acetamide is CC(NC(=O)COc1cccc(Br)c1)c1cccs1.
What is the InChIKey of 2-(3-bromophenoxy)-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is SYOYJJIXPAMIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-10(13-6-3-7-19-13)16-14(17)9-18-12-5-2-4-11(15)8-12/h2-8,10H,9H2,1H3,(H,16,17).
What are the key properties of 2-(3-bromophenoxy)-N-(1-thiophen-2-ylethyl)acetamide?
2-(3-bromophenoxy)-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 340.24 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 18170277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).