N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propylsulfonylamino)benzamide;hydrochloride

C16H28ClN3O3S — CID 119654023

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propylsulfonylamino)benzamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)N(C)CC(C)(C)CN)cc1.Cl
InChIInChI=1S/C16H27N3O3S.ClH/c1-5-10-23(21,22)18-14-8-6-13(7-9-14)15(20)19(4)12-16(2,3)11-17;/h6-9,18H,5,10-12,17H2,1-4H3;1H
InChIKeyGRKDXFSINXHTKG-UHFFFAOYSA-N
MW377.94 g/mol
LogP2.32
Rot. Bonds8

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propylsulfonylamino)benzamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propylsulfonylamino)benzamide;hydrochloride (PubChem CID 119654023) has the molecular formula C16H28ClN3O3S and a molecular weight of 377.94 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propylsulfonylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propylsulfonylamino)benzamide;hydrochloride
PubChem CID119654023
Molecular FormulaC16H28ClN3O3S
Molecular Weight377.94 g/mol
Exact Mass377.15
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propylsulfonylamino)benzamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)N(C)CC(C)(C)CN)cc1.Cl
InChIInChI=1S/C16H27N3O3S.ClH/c1-5-10-23(21,22)18-14-8-6-13(7-9-14)15(20)19(4)12-16(2,3)11-17;/h6-9,18H,5,10-12,17H2,1-4H3;1H
InChIKeyGRKDXFSINXHTKG-UHFFFAOYSA-N
XLogP2.32
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(propylsulfonylamino)benzamide;hydrochloride
CID 119652704
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(pyridin-4-ylsulfamoyl)benzamide;dihydrochloride
CID 119656862
N,N-diethyl-4-(propylsulfonylamino)benzamide
CID 60640578
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(sulfamoylmethyl)benzamide;hydrochloride
CID 119652729
4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
N-(3-amino-2,2-dimethylpropyl)-4-(butylsulfonylamino)-N-methylbenzenesulfonamide;hydrochloride
CID 119991560
N-(3-amino-2,2-dimethylpropyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride
CID 119652761
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
N-(3-amino-2,2-dimethylpropyl)-2-(ethylsulfonylamino)-N-methylbenzamide
CID 119656314
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
CID 119656163
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide
CID 79651919
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopyran-3-carboxamide
CID 79652485

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propylsulfonylamino)benzamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propylsulfonylamino)benzamide;hydrochloride (CID 119654023) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propylsulfonylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propylsulfonylamino)benzamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propylsulfonylamino)benzamide;hydrochloride is CCCS(=O)(=O)Nc1ccc(C(=O)N(C)CC(C)(C)CN)cc1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propylsulfonylamino)benzamide;hydrochloride?
The InChIKey is GRKDXFSINXHTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S.ClH/c1-5-10-23(21,22)18-14-8-6-13(7-9-14)15(20)19(4)12-16(2,3)11-17;/h6-9,18H,5,10-12,17H2,1-4H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propylsulfonylamino)benzamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propylsulfonylamino)benzamide;hydrochloride has a molecular weight of 377.94 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propylsulfonylamino)benzamide;hydrochloride is sourced from PubChem (CID 119654023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).