2-bromo-N-(2-ethylsulfanylphenyl)propanamide

C11H14BrNOS — CID 107904096

IUPAC2-bromo-N-(2-ethylsulfanylphenyl)propanamide
SMILESCCSc1ccccc1NC(=O)C(C)Br
InChIInChI=1S/C11H14BrNOS/c1-3-15-10-7-5-4-6-9(10)13-11(14)8(2)12/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyCKXMCHULFDWIFY-UHFFFAOYSA-N
MW288.21 g/mol
LogP3.52
Rot. Bonds4

About 2-bromo-N-(2-ethylsulfanylphenyl)propanamide

2-bromo-N-(2-ethylsulfanylphenyl)propanamide (PubChem CID 107904096) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is 2-bromo-N-(2-ethylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(2-ethylsulfanylphenyl)propanamide
PubChem CID107904096
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Name2-bromo-N-(2-ethylsulfanylphenyl)propanamide
SMILESCCSc1ccccc1NC(=O)C(C)Br
InChIInChI=1S/C11H14BrNOS/c1-3-15-10-7-5-4-6-9(10)13-11(14)8(2)12/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyCKXMCHULFDWIFY-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-ethylsulfanylphenyl)-3-methylbutanamide
CID 54862879
N-(2-ethylsulfanylphenyl)-2-phenoxypropanamide
CID 132650139
2-(aminomethyl)-N-(2-ethylsulfanylphenyl)pentanamide
CID 65229574
(2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 92675918
(2R)-N-(2-ethylsulfanylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 28568404
N-(2-ethylsulfanylphenyl)-2-phenoxybutanamide
CID 132650621
2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-4,4-dimethylpentanamide
CID 107471470
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
(2S)-2-(2,3-dimethylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 94027584
(2R)-2-(4-tert-butylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 38005426
N-(2-ethylsulfanylphenyl)-2-iodobenzamide
CID 47310864
N-(2-ethylsulfanylphenyl)but-3-enamide
CID 162691877

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-ethylsulfanylphenyl)propanamide?
The IUPAC name of 2-bromo-N-(2-ethylsulfanylphenyl)propanamide (CID 107904096) is 2-bromo-N-(2-ethylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-bromo-N-(2-ethylsulfanylphenyl)propanamide?
The canonical SMILES for 2-bromo-N-(2-ethylsulfanylphenyl)propanamide is CCSc1ccccc1NC(=O)C(C)Br.
What is the InChIKey of 2-bromo-N-(2-ethylsulfanylphenyl)propanamide?
The InChIKey is CKXMCHULFDWIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c1-3-15-10-7-5-4-6-9(10)13-11(14)8(2)12/h4-8H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-bromo-N-(2-ethylsulfanylphenyl)propanamide?
2-bromo-N-(2-ethylsulfanylphenyl)propanamide has a molecular weight of 288.21 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-ethylsulfanylphenyl)propanamide is sourced from PubChem (CID 107904096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).