2-[(3-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)acetamide

C9H13BrN2O4S2 — CID 113225778

IUPAC2-[(3-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNS(=O)(=O)c1sccc1Br
InChIInChI=1S/C9H13BrN2O4S2/c1-16-4-3-11-8(13)6-12-18(14,15)9-7(10)2-5-17-9/h2,5,12H,3-4,6H2,1H3,(H,11,13)
InChIKeyBYQPUVHXPISAFF-UHFFFAOYSA-N
MW357.25 g/mol
LogP0.55
Rot. Bonds7

About 2-[(3-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)acetamide

2-[(3-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 113225778) has the molecular formula C9H13BrN2O4S2 and a molecular weight of 357.25 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)acetamide
PubChem CID113225778
Molecular FormulaC9H13BrN2O4S2
Molecular Weight357.25 g/mol
Exact Mass355.95
IUPAC Name2-[(3-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNS(=O)(=O)c1sccc1Br
InChIInChI=1S/C9H13BrN2O4S2/c1-16-4-3-11-8(13)6-12-18(14,15)9-7(10)2-5-17-9/h2,5,12H,3-4,6H2,1H3,(H,11,13)
InChIKeyBYQPUVHXPISAFF-UHFFFAOYSA-N
XLogP0.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(3-bromothiophen-2-yl)sulfonylamino]-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-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide
CID 26543777
3-bromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-2-sulfonamide
CID 61456223
2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 22301501
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
2-[(3-bromothiophen-2-yl)sulfonylamino]-4-methoxybutanoic acid
CID 62478980
2-[(3-bromothiophen-2-yl)sulfonylamino]ethanethioamide
CID 61457900
3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide
CID 61458188
4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 115588760
N-(2-methoxyethyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112991177
3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 119964647
N-(2-methoxyethyl)-2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]acetamide
CID 112991190
3-bromo-N-[3-(2-bromoethoxy)propyl]thiophene-2-sulfonamide
CID 106304866

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(3-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)acetamide (CID 113225778) is 2-[(3-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNS(=O)(=O)c1sccc1Br.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is BYQPUVHXPISAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O4S2/c1-16-4-3-11-8(13)6-12-18(14,15)9-7(10)2-5-17-9/h2,5,12H,3-4,6H2,1H3,(H,11,13).
What are the key properties of 2-[(3-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)acetamide?
2-[(3-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 357.25 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 113225778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).