N-(3-amino-4-methylpentyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride

C17H28ClN3O3S — CID 119657347

IUPACN-(3-amino-4-methylpentyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N(C)CCC(N)C(C)C)c1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-5-10-19-24(22,23)15-8-6-7-14(12-15)17(21)20(4)11-9-16(18)13(2)3;/h5-8,12-13,16,19H,1,9-11,18H2,2-4H3;1H
InChIKeyLTVAAYCAACTWNP-UHFFFAOYSA-N
MW389.95 g/mol
LogP2.02
Rot. Bonds9

About N-(3-amino-4-methylpentyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride

N-(3-amino-4-methylpentyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride (PubChem CID 119657347) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
PubChem CID119657347
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N(C)CCC(N)C(C)C)c1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-5-10-19-24(22,23)15-8-6-7-14(12-15)17(21)20(4)11-9-16(18)13(2)3;/h5-8,12-13,16,19H,1,9-11,18H2,2-4H3;1H
InChIKeyLTVAAYCAACTWNP-UHFFFAOYSA-N
XLogP2.02
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methylpentyl)-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide
CID 119660555
N-(3-amino-4-methylpentyl)-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 119657426
N-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide
CID 81485805
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 119652458
N-[(4-ethylphenyl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 31542031
N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide
CID 51161787
N-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide
CID 46421235
N-(3-amino-4-methylpentyl)-3-(dimethylcarbamoylamino)-N-methylbenzamide;hydrochloride
CID 119660112
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 55348807
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 8966476
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 24545003
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 39735471

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride (CID 119657347) is N-(3-amino-4-methylpentyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride is C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CCC(N)C(C)C)c1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride?
The InChIKey is LTVAAYCAACTWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-5-10-19-24(22,23)15-8-6-7-14(12-15)17(21)20(4)11-9-16(18)13(2)3;/h5-8,12-13,16,19H,1,9-11,18H2,2-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119657347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).