N-[3-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]phenyl]acetamide

C14H12BrNO3S — CID 60626981

IUPACN-[3-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCC(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C14H12BrNO3S/c1-9(17)16-10-3-2-4-11(7-10)19-8-12(18)13-5-6-14(15)20-13/h2-7H,8H2,1H3,(H,16,17)
InChIKeyFETCNPJGSJVCLP-UHFFFAOYSA-N
MW354.23 g/mol
LogP3.73
Rot. Bonds5

About N-[3-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]phenyl]acetamide

N-[3-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]phenyl]acetamide (PubChem CID 60626981) has the molecular formula C14H12BrNO3S and a molecular weight of 354.23 g/mol. Its IUPAC name is N-[3-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]phenyl]acetamide
PubChem CID60626981
Molecular FormulaC14H12BrNO3S
Molecular Weight354.23 g/mol
Exact Mass352.97
IUPAC NameN-[3-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCC(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C14H12BrNO3S/c1-9(17)16-10-3-2-4-11(7-10)19-8-12(18)13-5-6-14(15)20-13/h2-7H,8H2,1H3,(H,16,17)
InChIKeyFETCNPJGSJVCLP-UHFFFAOYSA-N
XLogP3.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 60624529
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
2-(3-acetamidophenoxy)-N,N-diethylacetamide
CID 7698145
N-[3-(4-oxo-4-thiophen-2-ylbutoxy)phenyl]acetamide
CID 62030071
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
2-(3-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612220
2-(3-acetamidophenoxy)-N-(2,6-diethylphenyl)acetamide
CID 7697860
N-[3-(4-oxopentoxy)phenyl]acetamide
CID 62030070
N-[3-(2-hydroxypropoxy)phenyl]acetamide
CID 65277606
butyl 2-(3-acetamidophenoxy)acetate
CID 54941709
2-[3-[1-(5-bromothiophen-2-yl)ethylamino]phenoxy]-N-methylacetamide
CID 60999483
N-[3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 2495335

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of N-[3-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]phenyl]acetamide (CID 60626981) is N-[3-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]phenyl]acetamide is CC(=O)Nc1cccc(OCC(=O)c2ccc(Br)s2)c1.
What is the InChIKey of N-[3-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]phenyl]acetamide?
The InChIKey is FETCNPJGSJVCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3S/c1-9(17)16-10-3-2-4-11(7-10)19-8-12(18)13-5-6-14(15)20-13/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of N-[3-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]phenyl]acetamide?
N-[3-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]phenyl]acetamide has a molecular weight of 354.23 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 60626981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).