2-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N-butyl-N-methylbenzamide;hydrochloride

C19H34ClN3O3S — CID 119992074

IUPAC2-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N-butyl-N-methylbenzamide;hydrochloride
SMILESCCCCN(C)C(=O)c1ccccc1S(=O)(=O)N(C)CCC(N)C(C)C.Cl
InChIInChI=1S/C19H33N3O3S.ClH/c1-6-7-13-21(4)19(23)16-10-8-9-11-18(16)26(24,25)22(5)14-12-17(20)15(2)3;/h8-11,15,17H,6-7,12-14,20H2,1-5H3;1H
InChIKeyFKKSCUFIQCXZJV-UHFFFAOYSA-N
MW420.02 g/mol
LogP2.97
Rot. Bonds10

About 2-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N-butyl-N-methylbenzamide;hydrochloride

2-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N-butyl-N-methylbenzamide;hydrochloride (PubChem CID 119992074) has the molecular formula C19H34ClN3O3S and a molecular weight of 420.02 g/mol. Its IUPAC name is 2-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N-butyl-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N-butyl-N-methylbenzamide;hydrochloride
PubChem CID119992074
Molecular FormulaC19H34ClN3O3S
Molecular Weight420.02 g/mol
Exact Mass419.20
IUPAC Name2-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N-butyl-N-methylbenzamide;hydrochloride
SMILESCCCCN(C)C(=O)c1ccccc1S(=O)(=O)N(C)CCC(N)C(C)C.Cl
InChIInChI=1S/C19H33N3O3S.ClH/c1-6-7-13-21(4)19(23)16-10-8-9-11-18(16)26(24,25)22(5)14-12-17(20)15(2)3;/h8-11,15,17H,6-7,12-14,20H2,1-5H3;1H
InChIKeyFKKSCUFIQCXZJV-UHFFFAOYSA-N
XLogP2.97
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.02
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminobutylsulfamoyl)-N-butyl-N-methylbenzamide
CID 119972472
N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride
CID 119658345
N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride
CID 119658400
N-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide
CID 115317722
N-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 119992166
2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 119657379
N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride
CID 119657352
N-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991964
N-butyl-N-methyl-2-[methyl(piperidin-4-yl)sulfamoyl]benzamide;hydrochloride
CID 119965750
N-butyl-N-methyl-2-[2-(methylamino)propylsulfamoyl]benzamide
CID 120824520
2-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]-N-butyl-N-methylbenzamide;hydrochloride
CID 120665321
2-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-N-butyl-N-methylbenzamide;hydrochloride
CID 119971953

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N-butyl-N-methylbenzamide;hydrochloride?
The IUPAC name of 2-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N-butyl-N-methylbenzamide;hydrochloride (CID 119992074) is 2-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N-butyl-N-methylbenzamide;hydrochloride.
What is the SMILES notation for 2-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N-butyl-N-methylbenzamide;hydrochloride?
The canonical SMILES for 2-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N-butyl-N-methylbenzamide;hydrochloride is CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N(C)CCC(N)C(C)C.Cl.
What is the InChIKey of 2-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N-butyl-N-methylbenzamide;hydrochloride?
The InChIKey is FKKSCUFIQCXZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3S.ClH/c1-6-7-13-21(4)19(23)16-10-8-9-11-18(16)26(24,25)22(5)14-12-17(20)15(2)3;/h8-11,15,17H,6-7,12-14,20H2,1-5H3;1H.
What are the key properties of 2-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N-butyl-N-methylbenzamide;hydrochloride?
2-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N-butyl-N-methylbenzamide;hydrochloride has a molecular weight of 420.02 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N-butyl-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119992074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).