N-(2-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide

C14H22N2O4S — CID 51297875

IUPACN-(2-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCOCCNC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C14H22N2O4S/c1-11(2)16(3)21(18,19)13-7-5-12(6-8-13)14(17)15-9-10-20-4/h5-8,11H,9-10H2,1-4H3,(H,15,17)
InChIKeyBUXBXSALQOTZPG-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.09
Rot. Bonds7

About N-(2-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide

N-(2-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 51297875) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID51297875
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(2-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCOCCNC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C14H22N2O4S/c1-11(2)16(3)21(18,19)13-7-5-12(6-8-13)14(17)15-9-10-20-4/h5-8,11H,9-10H2,1-4H3,(H,15,17)
InChIKeyBUXBXSALQOTZPG-UHFFFAOYSA-N
XLogP1.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.09
H-Bond Donors ≤ 51
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-(2-methoxyethoxy)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55685287
N-(4-methylpentyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 33076936
4-(dimethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 110417973
N-(2-methoxyethylcarbamoyl)-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide
CID 24616690
N-(2-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 134062483
N-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55656712
N-[2-(cycloheptylamino)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
CID 119621364
4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119394399
methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 26635200
N-(2-methylbutan-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51320644
N-[2-(dimethylamino)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 110764850
3-methyl-2-[[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]butanoic acid
CID 119170436

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 51297875) is N-(2-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide is COCCNC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is BUXBXSALQOTZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-11(2)16(3)21(18,19)13-7-5-12(6-8-13)14(17)15-9-10-20-4/h5-8,11H,9-10H2,1-4H3,(H,15,17).
What are the key properties of N-(2-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-(2-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 314.41 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 51297875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).