N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide

C13H20N2O4S — CID 26500829

IUPACN-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOCCNC(=O)c1cccc(S(=O)(=O)NC(C)C)c1
InChIInChI=1S/C13H20N2O4S/c1-10(2)15-20(17,18)12-6-4-5-11(9-12)13(16)14-7-8-19-3/h4-6,9-10,15H,7-8H2,1-3H3,(H,14,16)
InChIKeyLLJRUDLFWBOROD-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.75
Rot. Bonds7

About N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide

N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 26500829) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID26500829
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOCCNC(=O)c1cccc(S(=O)(=O)NC(C)C)c1
InChIInChI=1S/C13H20N2O4S/c1-10(2)15-20(17,18)12-6-4-5-11(9-12)13(16)14-7-8-19-3/h4-6,9-10,15H,7-8H2,1-3H3,(H,14,16)
InChIKeyLLJRUDLFWBOROD-UHFFFAOYSA-N
XLogP0.75
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
N-(2-methoxyethyl)-3-(phenylsulfamoyl)benzamide
CID 19257386
propan-2-yl 3-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 46469241
N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119408016
N-(2-methoxyethyl)-3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109063672
3-[(2-ethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063665
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
N-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062648
N-(2-naphthalen-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46461593
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 4790456
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 26500853

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide (CID 26500829) is N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide is COCCNC(=O)c1cccc(S(=O)(=O)NC(C)C)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is LLJRUDLFWBOROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10(2)15-20(17,18)12-6-4-5-11(9-12)13(16)14-7-8-19-3/h4-6,9-10,15H,7-8H2,1-3H3,(H,14,16).
What are the key properties of N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide?
N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 300.38 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 26500829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).