N-(2-amino-2-methylpropyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride

C19H26ClN3O3S — CID 119627677

IUPACN-(2-amino-2-methylpropyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)NCC(C)(C)N)ccc2C)c1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-13-6-5-7-16(10-13)22-26(24,25)17-11-15(9-8-14(17)2)18(23)21-12-19(3,4)20;/h5-11,22H,12,20H2,1-4H3,(H,21,23);1H
InChIKeyMDJWGZRWQVDBLL-UHFFFAOYSA-N
MW411.96 g/mol
LogP2.99
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride

N-(2-amino-2-methylpropyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride (PubChem CID 119627677) has the molecular formula C19H26ClN3O3S and a molecular weight of 411.96 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
PubChem CID119627677
Molecular FormulaC19H26ClN3O3S
Molecular Weight411.96 g/mol
Exact Mass411.14
IUPAC NameN-(2-amino-2-methylpropyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)NCC(C)(C)N)ccc2C)c1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-13-6-5-7-16(10-13)22-26(24,25)17-11-15(9-8-14(17)2)18(23)21-12-19(3,4)20;/h5-11,22H,12,20H2,1-4H3,(H,21,23);1H
InChIKeyMDJWGZRWQVDBLL-UHFFFAOYSA-N
XLogP2.99
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 119629709
N-[2-(ethylamino)ethyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119506523
ethane;4-methyl-N-(2-methylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 142804944
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-hydroxy-2-methylbutyl]benzamide
CID 95783231
ethyl 4-[[4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 3610783
N-(2-amino-2-ethylbutyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119640175
4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393533
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503479
N-(2,6-difluorophenyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3249145
4-methyl-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3443148
N-(2-amino-2-methylpropyl)-3-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119628934
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 17496950

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride (CID 119627677) is N-(2-amino-2-methylpropyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride is Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCC(C)(C)N)ccc2C)c1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride?
The InChIKey is MDJWGZRWQVDBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S.ClH/c1-13-6-5-7-16(10-13)22-26(24,25)17-11-15(9-8-14(17)2)18(23)21-12-19(3,4)20;/h5-11,22H,12,20H2,1-4H3,(H,21,23);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride?
N-(2-amino-2-methylpropyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride has a molecular weight of 411.96 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 119627677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).