N-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide

C14H23N3O4S — CID 119522966

IUPACN-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NC(C)(C)CN)cc1
InChIInChI=1S/C14H23N3O4S/c1-14(2,10-15)17-13(18)11-4-6-12(7-5-11)22(19,20)16-8-9-21-3/h4-7,16H,8-10,15H2,1-3H3,(H,17,18)
InChIKeyJFYDYPVHMMLGRL-UHFFFAOYSA-N
MW329.42 g/mol
LogP0.08
Rot. Bonds8

About N-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide

N-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 119522966) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide
PubChem CID119522966
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NC(C)(C)CN)cc1
InChIInChI=1S/C14H23N3O4S/c1-14(2,10-15)17-13(18)11-4-6-12(7-5-11)22(19,20)16-8-9-21-3/h4-7,16H,8-10,15H2,1-3H3,(H,17,18)
InChIKeyJFYDYPVHMMLGRL-UHFFFAOYSA-N
XLogP0.08
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119607015
N-(2-amino-2-methylpropyl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119627863
N-(3-amino-2,2-dimethylpropyl)-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide;hydrochloride
CID 119654430
N-(1-amino-2-methylpropan-2-yl)-4-(methoxymethyl)benzamide
CID 119524261
N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide
CID 82164431
N-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethoxy)benzamide
CID 119523172
N-cyclohexyl-4-(2-methoxyethylsulfamoyl)benzamide
CID 51297166
N-(1-amino-4-methylpentan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119586887
4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide
CID 119387792
4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide
CID 83036729
N-(5-tert-butyl-2-methoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 24584207
N-(1-amino-2-methylpropan-2-yl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
CID 119524777

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide (CID 119522966) is N-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1ccc(C(=O)NC(C)(C)CN)cc1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is JFYDYPVHMMLGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-14(2,10-15)17-13(18)11-4-6-12(7-5-11)22(19,20)16-8-9-21-3/h4-7,16H,8-10,15H2,1-3H3,(H,17,18).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide?
N-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 329.42 g/mol, XLogP of 0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 119522966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).