2-(2-bromophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide

C14H14BrNO2S — CID 7847611

IUPAC2-(2-bromophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccccc1Br)c1cccs1
InChIInChI=1S/C14H14BrNO2S/c1-10(13-7-4-8-19-13)16-14(17)9-18-12-6-3-2-5-11(12)15/h2-8,10H,9H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyYVMDRFIHFCSJLO-JTQLQIEISA-N
MW340.24 g/mol
LogP3.77
Rot. Bonds5

About 2-(2-bromophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide

2-(2-bromophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide (PubChem CID 7847611) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
PubChem CID7847611
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name2-(2-bromophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccccc1Br)c1cccs1
InChIInChI=1S/C14H14BrNO2S/c1-10(13-7-4-8-19-13)16-14(17)9-18-12-6-3-2-5-11(12)15/h2-8,10H,9H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyYVMDRFIHFCSJLO-JTQLQIEISA-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-(2-ethoxyphenoxy)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7918077
2-(2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 45154352
2-(2-acetamidophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 17401958
2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7742348
N-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7918061
2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 31849974
2-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]-N-phenylbenzamide
CID 40616574
2-(2-bromophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42980776
2-(3-bromophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 18170277
2-(2,5-dimethylphenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8910471
2-(2-bromophenoxy)-N-butan-2-ylacetamide
CID 19170000
N-[(1R)-1-thiophen-2-ylethyl]-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide
CID 97089284

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide (CID 7847611) is 2-(2-bromophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide is C[C@H](NC(=O)COc1ccccc1Br)c1cccs1.
What is the InChIKey of 2-(2-bromophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is YVMDRFIHFCSJLO-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-10(13-7-4-8-19-13)16-14(17)9-18-12-6-3-2-5-11(12)15/h2-8,10H,9H2,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of 2-(2-bromophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
2-(2-bromophenoxy)-N-[(1S)-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-(2-bromophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 7847611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).