2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]acetamide

C12H13Br2NO4S — CID 135137860

IUPAC2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]acetamide
SMILESCS(=O)(=O)/C=C/CNC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C12H13Br2NO4S/c1-20(17,18)6-2-5-15-12(16)8-19-11-4-3-9(13)7-10(11)14/h2-4,6-7H,5,8H2,1H3,(H,15,16)/b6-2+
InChIKeyQPEHGDBDELPQIK-QHHAFSJGSA-N
MW427.11 g/mol
LogP2.26
Rot. Bonds6

About 2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]acetamide

2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]acetamide (PubChem CID 135137860) has the molecular formula C12H13Br2NO4S and a molecular weight of 427.11 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]acetamide
PubChem CID135137860
Molecular FormulaC12H13Br2NO4S
Molecular Weight427.11 g/mol
Exact Mass424.89
IUPAC Name2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]acetamide
SMILESCS(=O)(=O)/C=C/CNC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C12H13Br2NO4S/c1-20(17,18)6-2-5-15-12(16)8-19-11-4-3-9(13)7-10(11)14/h2-4,6-7H,5,8H2,1H3,(H,15,16)/b6-2+
InChIKeyQPEHGDBDELPQIK-QHHAFSJGSA-N
XLogP2.26
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.11
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(2,4-dibromophenoxy)acetamide
CID 2632827
2-(2,4-dibromophenoxy)-N-(tetrahydro-2-furanylmethyl)acetamide
CID 2788423
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 3904205
2-(2,4-dibromophenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
CID 18777474
2-(4-bromophenoxy)-N-prop-2-enylacetamide
CID 1591535
N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]-2-methoxyacetamide
CID 53604493
(2R)-2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]propanamide
CID 155540752
2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide
CID 155928374
2-(2-bromophenoxy)-N-isopropylacetamide
CID 729415
2-(2,4-dibromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 2793159
2-(4-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 2886846
2-(2,4-dibromophenoxy)-N-ethylacetamide
CID 360019

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]acetamide (CID 135137860) is 2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]acetamide is CS(=O)(=O)/C=C/CNC(=O)COc1ccc(Br)cc1Br.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]acetamide?
The InChIKey is QPEHGDBDELPQIK-QHHAFSJGSA-N. The full InChI is InChI=1S/C12H13Br2NO4S/c1-20(17,18)6-2-5-15-12(16)8-19-11-4-3-9(13)7-10(11)14/h2-4,6-7H,5,8H2,1H3,(H,15,16)/b6-2+.
What are the key properties of 2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]acetamide?
2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]acetamide has a molecular weight of 427.11 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]acetamide is sourced from PubChem (CID 135137860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).