2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide

C12H17BrN2O4S — CID 22301501

IUPAC2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNS(=O)(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O4S/c1-19-7-6-14-12(16)8-15-20(17,18)9-10-2-4-11(13)5-3-10/h2-5,15H,6-9H2,1H3,(H,14,16)
InChIKeyAXGVQUKMSORVKI-UHFFFAOYSA-N
MW365.25 g/mol
LogP0.63
Rot. Bonds8

About 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide

2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 22301501) has the molecular formula C12H17BrN2O4S and a molecular weight of 365.25 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide
PubChem CID22301501
Molecular FormulaC12H17BrN2O4S
Molecular Weight365.25 g/mol
Exact Mass364.01
IUPAC Name2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNS(=O)(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O4S/c1-19-7-6-14-12(16)8-15-20(17,18)9-10-2-4-11(13)5-3-10/h2-5,15H,6-9H2,1H3,(H,14,16)
InChIKeyAXGVQUKMSORVKI-UHFFFAOYSA-N
XLogP0.63
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methoxyethyl)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

2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methylpropyl)acetamide
CID 21156556
2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 22301433
2-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide
CID 26543777
2-[(4-bromophenyl)methylsulfonylamino]-N-(3,5-dimethylphenyl)acetamide
CID 22300057
N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119702529
2-[(4-bromophenyl)methylsulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 22299884
2-[(3-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)acetamide
CID 113225778
1-[(4-bromophenyl)methylsulfonyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 53283935
2-[(4-chlorophenyl)methylsulfonyl]-N-(2-methoxyethyl)acetamide
CID 17225063
[2-(2-methoxyethylamino)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate
CID 7752892
2-(benzylsulfonylamino)-N-(2-phenylethyl)acetamide
CID 39192170
2-[(4-bromophenyl)methylsulfonylamino]-N-(2-ethoxyphenyl)acetamide
CID 22299888

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide (CID 22301501) is 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNS(=O)(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is AXGVQUKMSORVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O4S/c1-19-7-6-14-12(16)8-15-20(17,18)9-10-2-4-11(13)5-3-10/h2-5,15H,6-9H2,1H3,(H,14,16).
What are the key properties of 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide?
2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 365.25 g/mol, XLogP of 0.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 22301501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).