N-(1-amino-2,4-dimethylpentan-2-yl)-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride

C17H28ClN3O3S — CID 119597463

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NC(C)(CN)CC(C)C)c1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-5-9-19-24(22,23)15-8-6-7-14(10-15)16(21)20-17(4,12-18)11-13(2)3;/h5-8,10,13,19H,1,9,11-12,18H2,2-4H3,(H,20,21);1H
InChIKeyNOLHTXOYZBQCRZ-UHFFFAOYSA-N
MW389.95 g/mol
LogP2.07
Rot. Bonds9

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride (PubChem CID 119597463) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
PubChem CID119597463
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NC(C)(CN)CC(C)C)c1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-5-9-19-24(22,23)15-8-6-7-14(10-15)16(21)20-17(4,12-18)11-13(2)3;/h5-8,10,13,19H,1,9,11-12,18H2,2-4H3,(H,20,21);1H
InChIKeyNOLHTXOYZBQCRZ-UHFFFAOYSA-N
XLogP2.07
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119599772
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride
CID 119599708
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119597522
N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47127688
N-[3-(aminomethyl)pentan-3-yl]-3-(prop-2-enylsulfamoyl)benzamide
CID 119568702
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride
CID 119599324
N-(1-amino-2,4-dimethylpentan-2-yl)-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119599089
N-[(2R)-pentan-2-yl]-3-(prop-2-enylsulfamoyl)benzamide
CID 30906636
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(methoxymethyl)benzamide;hydrochloride
CID 119600158
3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzamide
CID 119984985
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 119652458
methyl 3-(prop-2-enylsulfamoyl)benzoate
CID 60624016

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride (CID 119597463) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride is C=CCNS(=O)(=O)c1cccc(C(=O)NC(C)(CN)CC(C)C)c1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride?
The InChIKey is NOLHTXOYZBQCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-5-9-19-24(22,23)15-8-6-7-14(10-15)16(21)20-17(4,12-18)11-13(2)3;/h5-8,10,13,19H,1,9,11-12,18H2,2-4H3,(H,20,21);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 2.07, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119597463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).