N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide;hydrochloride

C21H29ClN2O3S — CID 119605692

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)Cc2ccc(C(=O)NC(C)(CN)C(C)C)cc2)cc1.Cl
InChIInChI=1S/C21H28N2O3S.ClH/c1-15(2)21(4,14-22)23-20(24)18-9-7-17(8-10-18)13-27(25,26)19-11-5-16(3)6-12-19;/h5-12,15H,13-14,22H2,1-4H3,(H,23,24);1H
InChIKeyMTZFXAKKCFQWTL-UHFFFAOYSA-N
MW424.99 g/mol
LogP3.49
Rot. Bonds7

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide;hydrochloride (PubChem CID 119605692) has the molecular formula C21H29ClN2O3S and a molecular weight of 424.99 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide;hydrochloride
PubChem CID119605692
Molecular FormulaC21H29ClN2O3S
Molecular Weight424.99 g/mol
Exact Mass424.16
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)Cc2ccc(C(=O)NC(C)(CN)C(C)C)cc2)cc1.Cl
InChIInChI=1S/C21H28N2O3S.ClH/c1-15(2)21(4,14-22)23-20(24)18-9-7-17(8-10-18)13-27(25,26)19-11-5-16(3)6-12-19;/h5-12,15H,13-14,22H2,1-4H3,(H,23,24);1H
InChIKeyMTZFXAKKCFQWTL-UHFFFAOYSA-N
XLogP3.49
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.99
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119607015
N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylbenzamide;hydrochloride
CID 119608679
4-[(4-methylphenyl)methylsulfonyl]benzoic acid
CID 24705378
3-[[4-[(4-methylphenyl)sulfonylmethyl]benzoyl]amino]butanoic acid
CID 119220917
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopropylsulfamoyl)benzamide
CID 119607469
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide
CID 78889210
N-(1-amino-2,3-dimethylbutan-2-yl)-4-nitrobenzamide;hydrochloride
CID 119605451
4-ethyl-N'-[4-[(4-methylphenyl)sulfonylmethyl]benzoyl]benzohydrazide
CID 78888892
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119608726
N-[(2R)-2-(ethylamino)propyl]-4-[(4-methylphenyl)sulfonylmethyl]benzamide
CID 120654941
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methylpropanoylamino)benzamide;hydrochloride
CID 119607897
N-(1-amino-2,3-dimethylbutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119607870

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide;hydrochloride (CID 119605692) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide;hydrochloride is Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NC(C)(CN)C(C)C)cc2)cc1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide;hydrochloride?
The InChIKey is MTZFXAKKCFQWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S.ClH/c1-15(2)21(4,14-22)23-20(24)18-9-7-17(8-10-18)13-27(25,26)19-11-5-16(3)6-12-19;/h5-12,15H,13-14,22H2,1-4H3,(H,23,24);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide;hydrochloride has a molecular weight of 424.99 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide;hydrochloride is sourced from PubChem (CID 119605692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).