N-(2,4-dibromophenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide

C11H13Br2NO2S — CID 112695482

IUPACN-(2,4-dibromophenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide
SMILESCC(CO)SCC(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C11H13Br2NO2S/c1-7(5-15)17-6-11(16)14-10-3-2-8(12)4-9(10)13/h2-4,7,15H,5-6H2,1H3,(H,14,16)
InChIKeyMBBKZEQJKCFKRL-UHFFFAOYSA-N
MW383.11 g/mol
LogP3.26
Rot. Bonds5

About N-(2,4-dibromophenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide

N-(2,4-dibromophenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide (PubChem CID 112695482) has the molecular formula C11H13Br2NO2S and a molecular weight of 383.11 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide
PubChem CID112695482
Molecular FormulaC11H13Br2NO2S
Molecular Weight383.11 g/mol
Exact Mass380.90
IUPAC NameN-(2,4-dibromophenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide
SMILESCC(CO)SCC(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C11H13Br2NO2S/c1-7(5-15)17-6-11(16)14-10-3-2-8(12)4-9(10)13/h2-4,7,15H,5-6H2,1H3,(H,14,16)
InChIKeyMBBKZEQJKCFKRL-UHFFFAOYSA-N
XLogP3.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.11
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,4-dibromophenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide 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-(2,4-dibromophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112548617
3-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 66138250
2-(1-hydroxypropan-2-ylsulfanyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 113244525
N-(4-amino-2-bromophenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide
CID 107748731
N-(2,4-dibromophenyl)hexanamide
CID 4251482
3-(2,4-dibromoanilino)-3-oxopropanoic acid
CID 62230789
N-(4-bromo-2-fluorophenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 113244444
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide
CID 79126805
2-(2-amino-5-bromophenyl)sulfanyl-N-(2-bromo-4-methylphenyl)acetamide
CID 79519578
methyl 2-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanylpropanoate
CID 78842832
2-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 105353955
[2-(2,4-dibromoanilino)-2-oxoethyl] N,N'-diethylcarbamimidothioate
CID 4968515

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide?
The IUPAC name of N-(2,4-dibromophenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide (CID 112695482) is N-(2,4-dibromophenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(2,4-dibromophenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide is CC(CO)SCC(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of N-(2,4-dibromophenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide?
The InChIKey is MBBKZEQJKCFKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO2S/c1-7(5-15)17-6-11(16)14-10-3-2-8(12)4-9(10)13/h2-4,7,15H,5-6H2,1H3,(H,14,16).
What are the key properties of N-(2,4-dibromophenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide?
N-(2,4-dibromophenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide has a molecular weight of 383.11 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide is sourced from PubChem (CID 112695482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).