N-(2-amino-2-phenylethyl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride

C19H26ClN3O3S — CID 119528684

IUPACN-(2-amino-2-phenylethyl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride
SMILESCC(C)CNS(=O)(=O)c1ccc(C(=O)NCC(N)c2ccccc2)cc1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-14(2)12-22-26(24,25)17-10-8-16(9-11-17)19(23)21-13-18(20)15-6-4-3-5-7-15;/h3-11,14,18,22H,12-13,20H2,1-2H3,(H,21,23);1H
InChIKeyFVAZGCIORZLQGG-UHFFFAOYSA-N
MW411.96 g/mol
LogP2.47
Rot. Bonds8

About N-(2-amino-2-phenylethyl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride

N-(2-amino-2-phenylethyl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride (PubChem CID 119528684) has the molecular formula C19H26ClN3O3S and a molecular weight of 411.96 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride
PubChem CID119528684
Molecular FormulaC19H26ClN3O3S
Molecular Weight411.96 g/mol
Exact Mass411.14
IUPAC NameN-(2-amino-2-phenylethyl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride
SMILESCC(C)CNS(=O)(=O)c1ccc(C(=O)NCC(N)c2ccccc2)cc1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-14(2)12-22-26(24,25)17-10-8-16(9-11-17)19(23)21-13-18(20)15-6-4-3-5-7-15;/h3-11,14,18,22H,12-13,20H2,1-2H3,(H,21,23);1H
InChIKeyFVAZGCIORZLQGG-UHFFFAOYSA-N
XLogP2.47
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-(2-methylpropylsulfamoyl)benzamide
CID 109058915
N-(2-aminoethyl)-4-(2-methylpropylsulfamoyl)benzamide
CID 119384028
4-(ethylsulfamoyl)-N-(3-methyl-2-phenylbutyl)benzamide
CID 46441337
4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide
CID 20973707
N-(2-amino-2-phenylethyl)-4-(propylsulfonylamino)benzamide;hydrochloride
CID 119528189
(2S)-3-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]butanoic acid
CID 119359662
4-(2-methylpropylsulfamoyl)benzoic acid
CID 611819
N-(2-amino-2-phenylethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119527433
4-[(4-methylphenyl)sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164353
N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide
CID 63120465
N-(2-amino-2-phenylethyl)-4-methylsulfanylbenzamide
CID 79217340
4-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164346

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride (CID 119528684) is N-(2-amino-2-phenylethyl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride is CC(C)CNS(=O)(=O)c1ccc(C(=O)NCC(N)c2ccccc2)cc1.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride?
The InChIKey is FVAZGCIORZLQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S.ClH/c1-14(2)12-22-26(24,25)17-10-8-16(9-11-17)19(23)21-13-18(20)15-6-4-3-5-7-15;/h3-11,14,18,22H,12-13,20H2,1-2H3,(H,21,23);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride?
N-(2-amino-2-phenylethyl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride has a molecular weight of 411.96 g/mol, XLogP of 2.47, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119528684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).