N-(1-amino-4-methylpentan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride

C15H25ClN2O3S — CID 119587345

IUPACN-(1-amino-4-methylpentan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NC(CN)CC(C)C.Cl
InChIInChI=1S/C15H24N2O3S.ClH/c1-10(2)7-12(9-16)17-15(18)14-8-13(21(4,19)20)6-5-11(14)3;/h5-6,8,10,12H,7,9,16H2,1-4H3,(H,17,18);1H
InChIKeyDWINVLMEVQGOEQ-UHFFFAOYSA-N
MW348.90 g/mol
LogP1.92
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride (PubChem CID 119587345) has the molecular formula C15H25ClN2O3S and a molecular weight of 348.90 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride
PubChem CID119587345
Molecular FormulaC15H25ClN2O3S
Molecular Weight348.90 g/mol
Exact Mass348.13
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NC(CN)CC(C)C.Cl
InChIInChI=1S/C15H24N2O3S.ClH/c1-10(2)7-12(9-16)17-15(18)14-8-13(21(4,19)20)6-5-11(14)3;/h5-6,8,10,12H,7,9,16H2,1-4H3,(H,17,18);1H
InChIKeyDWINVLMEVQGOEQ-UHFFFAOYSA-N
XLogP1.92
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-4-methylpentan-2-yl)-2-methyl-5-methylsulfonylbenzamide;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-4-methylpentan-2-yl)-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119585798
N-(1-amino-4-methylpentan-2-yl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119586889
N-(1-amino-4-methylpentan-2-yl)-4-methyl-3-methylsulfonylbenzamide
CID 119586545
N-(4-hydroxy-3-methylbutan-2-yl)-2-methyl-5-methylsulfonylbenzamide
CID 115770731
2-methyl-N-[2-(2-methylpropanoylamino)ethyl]-5-methylsulfonylbenzamide
CID 78779008
N-[(1S)-1-cyclopropylethyl]-2-methyl-5-methylsulfonylbenzamide
CID 27884542
N-[(2S)-2-hydroxypropyl]-2-methyl-5-methylsulfonylbenzamide
CID 83029859
N-benzhydryl-2-methyl-5-methylsulfonylbenzamide
CID 27254371
N-(1-amino-4-methylpentan-2-yl)-2-methylfuran-3-carboxamide;hydrochloride
CID 119586435
N-(1-amino-4-methylpentan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
CID 119585454
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
CID 119588453
2-methyl-5-methylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide
CID 51072491

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride (CID 119587345) is N-(1-amino-4-methylpentan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride is Cc1ccc(S(C)(=O)=O)cc1C(=O)NC(CN)CC(C)C.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride?
The InChIKey is DWINVLMEVQGOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S.ClH/c1-10(2)7-12(9-16)17-15(18)14-8-13(21(4,19)20)6-5-11(14)3;/h5-6,8,10,12H,7,9,16H2,1-4H3,(H,17,18);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride has a molecular weight of 348.90 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119587345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).