N-(2-amino-2-methylpropyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride

C19H26ClN3O3S — CID 119630221

IUPACN-(2-amino-2-methylpropyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)(C)N)c2)cc1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-13-5-8-15(9-6-13)22-26(24,25)16-10-7-14(2)17(11-16)18(23)21-12-19(3,4)20;/h5-11,22H,12,20H2,1-4H3,(H,21,23);1H
InChIKeyCPTRTJBGOIADSF-UHFFFAOYSA-N
MW411.96 g/mol
LogP2.99
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride

N-(2-amino-2-methylpropyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride (PubChem CID 119630221) has the molecular formula C19H26ClN3O3S and a molecular weight of 411.96 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride
PubChem CID119630221
Molecular FormulaC19H26ClN3O3S
Molecular Weight411.96 g/mol
Exact Mass411.14
IUPAC NameN-(2-amino-2-methylpropyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)(C)N)c2)cc1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-13-5-8-15(9-6-13)22-26(24,25)16-10-7-14(2)17(11-16)18(23)21-12-19(3,4)20;/h5-11,22H,12,20H2,1-4H3,(H,21,23);1H
InChIKeyCPTRTJBGOIADSF-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-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119628934
N-(3-aminobutyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 119499223
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 51163000
N-(cyclopropylmethyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 24670405
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 9473851
N-[2-(benzylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 36698057
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 55347863
N-cyclohexyl-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 26534981
N-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119640149
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 34238919
2-methyl-N-[2-(methylamino)ethyl]-5-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119500518
2-amino-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 134108932

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride (CID 119630221) is N-(2-amino-2-methylpropyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride is Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)(C)N)c2)cc1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride?
The InChIKey is CPTRTJBGOIADSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S.ClH/c1-13-5-8-15(9-6-13)22-26(24,25)16-10-7-14(2)17(11-16)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)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride?
N-(2-amino-2-methylpropyl)-2-methyl-5-[(4-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)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 119630221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).