3-(2-methoxyethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide

C17H28N2O4S — CID 134019674

IUPAC3-(2-methoxyethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)NC(C)CCC(C)C)c1
InChIInChI=1S/C17H28N2O4S/c1-13(2)8-9-14(3)19-17(20)15-6-5-7-16(12-15)24(21,22)18-10-11-23-4/h5-7,12-14,18H,8-11H2,1-4H3,(H,19,20)
InChIKeyHAZLCCCRNQLDTJ-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.17
Rot. Bonds10

About 3-(2-methoxyethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide

3-(2-methoxyethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide (PubChem CID 134019674) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide.

Molecular Properties

Compound Name3-(2-methoxyethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide
PubChem CID134019674
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Name3-(2-methoxyethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)NC(C)CCC(C)C)c1
InChIInChI=1S/C17H28N2O4S/c1-13(2)8-9-14(3)19-17(20)15-6-5-7-16(12-15)24(21,22)18-10-11-23-4/h5-7,12-14,18H,8-11H2,1-4H3,(H,19,20)
InChIKeyHAZLCCCRNQLDTJ-UHFFFAOYSA-N
XLogP2.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.17
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
3-(2-methoxyethylsulfamoyl)-N-(2-methyl-1-phenylpropyl)benzamide
CID 134045498
N-butan-2-yl-3-[[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]benzamide
CID 55749562
N-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 134045491
3-(2-methoxyethylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 55570733
N-[1-(3,4-difluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 134045494
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
3-[(3-acetylphenyl)sulfonylamino]-N-(5-methylhexan-2-yl)propanamide
CID 78768187
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119597522
N-(2-amino-2-phenylethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119527433

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide?
The IUPAC name of 3-(2-methoxyethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide (CID 134019674) is 3-(2-methoxyethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide.
What is the SMILES notation for 3-(2-methoxyethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide?
The canonical SMILES for 3-(2-methoxyethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide is COCCNS(=O)(=O)c1cccc(C(=O)NC(C)CCC(C)C)c1.
What is the InChIKey of 3-(2-methoxyethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide?
The InChIKey is HAZLCCCRNQLDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-13(2)8-9-14(3)19-17(20)15-6-5-7-16(12-15)24(21,22)18-10-11-23-4/h5-7,12-14,18H,8-11H2,1-4H3,(H,19,20).
What are the key properties of 3-(2-methoxyethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide?
3-(2-methoxyethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide has a molecular weight of 356.49 g/mol, XLogP of 2.17, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide is sourced from PubChem (CID 134019674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).