2-(4-bromophenoxy)-2-methyl-N-(2-sulfanylethyl)propanamide

C12H16BrNO2S — CID 155928374

IUPAC2-(4-bromophenoxy)-2-methyl-N-(2-sulfanylethyl)propanamide
SMILESCC(C)(Oc1ccc(Br)cc1)C(=O)NCCS
InChIInChI=1S/C12H16BrNO2S/c1-12(2,11(15)14-7-8-17)16-10-5-3-9(13)4-6-10/h3-6,17H,7-8H2,1-2H3,(H,14,15)
InChIKeyKYRLGFWGXVFTSV-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.65
Rot. Bonds5

About 2-(4-bromophenoxy)-2-methyl-N-(2-sulfanylethyl)propanamide

2-(4-bromophenoxy)-2-methyl-N-(2-sulfanylethyl)propanamide (PubChem CID 155928374) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-2-methyl-N-(2-sulfanylethyl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-2-methyl-N-(2-sulfanylethyl)propanamide
PubChem CID155928374
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name2-(4-bromophenoxy)-2-methyl-N-(2-sulfanylethyl)propanamide
SMILESCC(C)(Oc1ccc(Br)cc1)C(=O)NCCS
InChIInChI=1S/C12H16BrNO2S/c1-12(2,11(15)14-7-8-17)16-10-5-3-9(13)4-6-10/h3-6,17H,7-8H2,1-2H3,(H,14,15)
InChIKeyKYRLGFWGXVFTSV-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(4-bromophenoxy)-2-methyl-N-(2-sulfanylethyl)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

2-(4-bromo-2-fluorophenoxy)-N-cyclopropylacetamide
CID 2523046
2-(4-bromophenoxy)-N-cyclopropylacetamide
CID 2631886
2-(2,4-dibromophenoxy)-N-[(E)-3-methylsulfonylprop-2-enyl]acetamide
CID 135137860
N-[2-(4-bromophenoxy)ethyl]acetamide
CID 16762877
2-(4-bromophenoxy)-N-(2-hydroxyethyl)acetamide
CID 2183124
2-(4-bromophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 2532948
2-(4-bromophenoxy)-N-cycloheptylpropanamide
CID 16314038
2-(4-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 24981665
2-(4-Bromo-phenoxy)-4-methyl-pentanoic acid cyanomethyl-amide
CID 44393729
N-allyl-2-(4-bromophenoxy)acetamide
CID 1591535
2-(4-bromophenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 2788422
2-(4-Bromophenoxy)-N-(2-(diethylamino)ethyl)ethanimidic acid
CID 217305

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-2-methyl-N-(2-sulfanylethyl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-2-methyl-N-(2-sulfanylethyl)propanamide (CID 155928374) is 2-(4-bromophenoxy)-2-methyl-N-(2-sulfanylethyl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-2-methyl-N-(2-sulfanylethyl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-2-methyl-N-(2-sulfanylethyl)propanamide is CC(C)(Oc1ccc(Br)cc1)C(=O)NCCS.
What is the InChIKey of 2-(4-bromophenoxy)-2-methyl-N-(2-sulfanylethyl)propanamide?
The InChIKey is KYRLGFWGXVFTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-12(2,11(15)14-7-8-17)16-10-5-3-9(13)4-6-10/h3-6,17H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-bromophenoxy)-2-methyl-N-(2-sulfanylethyl)propanamide?
2-(4-bromophenoxy)-2-methyl-N-(2-sulfanylethyl)propanamide has a molecular weight of 318.24 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-2-methyl-N-(2-sulfanylethyl)propanamide is sourced from PubChem (CID 155928374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).