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

C13H15Br2NO4S — CID 155540752

IUPAC(2R)-2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]propanamide
SMILESC[C@@H](Oc1ccc(Br)cc1Br)C(=O)NC/C=C/S(C)(=O)=O
InChIInChI=1S/C13H15Br2NO4S/c1-9(13(17)16-6-3-7-21(2,18)19)20-12-5-4-10(14)8-11(12)15/h3-5,7-9H,6H2,1-2H3,(H,16,17)/b7-3+/t9-/m1/s1
InChIKeyVNHAHMLMWAPLDC-XKEGTWDPSA-N
MW441.14 g/mol
LogP2.65
Rot. Bonds6

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

(2R)-2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]propanamide (PubChem CID 155540752) has the molecular formula C13H15Br2NO4S and a molecular weight of 441.14 g/mol. Its IUPAC name is (2R)-2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]propanamide
PubChem CID155540752
Molecular FormulaC13H15Br2NO4S
Molecular Weight441.14 g/mol
Exact Mass438.91
IUPAC Name(2R)-2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]propanamide
SMILESC[C@@H](Oc1ccc(Br)cc1Br)C(=O)NC/C=C/S(C)(=O)=O
InChIInChI=1S/C13H15Br2NO4S/c1-9(13(17)16-6-3-7-21(2,18)19)20-12-5-4-10(14)8-11(12)15/h3-5,7-9H,6H2,1-2H3,(H,16,17)/b7-3+/t9-/m1/s1
InChIKeyVNHAHMLMWAPLDC-XKEGTWDPSA-N
XLogP2.65
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.14
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-2-(2,4-dibromophenoxy)acetamide
CID 2632827
2-(2,4-dibromophenoxy)-N-(ethylcarbamoyl)propanamide
CID 16196796
2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]acetamide
CID 135137860
2-(2,4-dibromophenoxy)-N-(tetrahydro-2-furanylmethyl)acetamide
CID 2788423
2-(2,4-dibromophenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
CID 18777474
N-allyl-2-(4-bromophenoxy)acetamide
CID 1591535
N-cyclopentyl-2-(2,4-dibromophenoxy)propanamide
CID 11841308
N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]-2-methoxyacetamide
CID 53604493
2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide
CID 155928374
2-(2,4-dibromophenoxy)-N-(1,1-dioxidotetrahydrothiophen-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 (2R)-2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]propanamide?
The IUPAC name of (2R)-2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]propanamide (CID 155540752) is (2R)-2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]propanamide.
What is the SMILES notation for (2R)-2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]propanamide?
The canonical SMILES for (2R)-2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]propanamide is C[C@@H](Oc1ccc(Br)cc1Br)C(=O)NC/C=C/S(C)(=O)=O.
What is the InChIKey of (2R)-2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]propanamide?
The InChIKey is VNHAHMLMWAPLDC-XKEGTWDPSA-N. The full InChI is InChI=1S/C13H15Br2NO4S/c1-9(13(17)16-6-3-7-21(2,18)19)20-12-5-4-10(14)8-11(12)15/h3-5,7-9H,6H2,1-2H3,(H,16,17)/b7-3+/t9-/m1/s1.
What are the key properties of (2R)-2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]propanamide?
(2R)-2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]propanamide has a molecular weight of 441.14 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]propanamide is sourced from PubChem (CID 155540752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).