N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride

C16H28ClN3O4S — CID 119607015

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NC(C)(CN)C(C)C)cc1.Cl
InChIInChI=1S/C16H27N3O4S.ClH/c1-12(2)16(3,11-17)19-15(20)13-5-7-14(8-6-13)24(21,22)18-9-10-23-4;/h5-8,12,18H,9-11,17H2,1-4H3,(H,19,20);1H
InChIKeyXUYBAEKWBJGNJL-UHFFFAOYSA-N
MW393.94 g/mol
LogP1.14
Rot. Bonds9

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride (PubChem CID 119607015) has the molecular formula C16H28ClN3O4S and a molecular weight of 393.94 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
PubChem CID119607015
Molecular FormulaC16H28ClN3O4S
Molecular Weight393.94 g/mol
Exact Mass393.15
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NC(C)(CN)C(C)C)cc1.Cl
InChIInChI=1S/C16H27N3O4S.ClH/c1-12(2)16(3,11-17)19-15(20)13-5-7-14(8-6-13)24(21,22)18-9-10-23-4;/h5-8,12,18H,9-11,17H2,1-4H3,(H,19,20);1H
InChIKeyXUYBAEKWBJGNJL-UHFFFAOYSA-N
XLogP1.14
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 51.14
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-methylpropan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 119522966
N-(2-amino-2-methylpropyl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119627863
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopropylsulfamoyl)benzamide
CID 119607469
N-(1-amino-4-methylpentan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119586887
N-(3-amino-2,2-dimethylpropyl)-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide;hydrochloride
CID 119654430
N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide;hydrochloride
CID 119605692
N-(1-amino-2,3-dimethylbutan-2-yl)-4-nitrobenzamide;hydrochloride
CID 119605451
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119608726
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119597522
N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide
CID 82164431
N-tert-butyl-4-(3-methylbutylsulfamoyl)benzamide
CID 109061117
4-(2-methoxyethylsulfamoyl)-N-(4-propan-2-yloxyphenyl)benzamide
CID 109059796

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride (CID 119607015) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride is COCCNS(=O)(=O)c1ccc(C(=O)NC(C)(CN)C(C)C)cc1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride?
The InChIKey is XUYBAEKWBJGNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4S.ClH/c1-12(2)16(3,11-17)19-15(20)13-5-7-14(8-6-13)24(21,22)18-9-10-23-4;/h5-8,12,18H,9-11,17H2,1-4H3,(H,19,20);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride has a molecular weight of 393.94 g/mol, XLogP of 1.14, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119607015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).