N-(1-amino-4-methylpentan-2-yl)-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride

C16H28ClN3O3S — CID 119585798

IUPACN-(1-amino-4-methylpentan-2-yl)-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NC(CN)CC(C)C)c1.Cl
InChIInChI=1S/C16H27N3O3S.ClH/c1-5-18-23(21,22)14-7-6-12(4)15(9-14)16(20)19-13(10-17)8-11(2)3;/h6-7,9,11,13,18H,5,8,10,17H2,1-4H3,(H,19,20);1H
InChIKeyUPZOEWCIMURECH-UHFFFAOYSA-N
MW377.94 g/mol
LogP1.82
Rot. Bonds8

About N-(1-amino-4-methylpentan-2-yl)-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride (PubChem CID 119585798) has the molecular formula C16H28ClN3O3S and a molecular weight of 377.94 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
PubChem CID119585798
Molecular FormulaC16H28ClN3O3S
Molecular Weight377.94 g/mol
Exact Mass377.15
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NC(CN)CC(C)C)c1.Cl
InChIInChI=1S/C16H27N3O3S.ClH/c1-5-18-23(21,22)14-7-6-12(4)15(9-14)16(20)19-13(10-17)8-11(2)3;/h6-7,9,11,13,18H,5,8,10,17H2,1-4H3,(H,19,20);1H
InChIKeyUPZOEWCIMURECH-UHFFFAOYSA-N
XLogP1.82
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride
CID 119587345
N-(1-amino-4-methylpentan-2-yl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119586889
5-(ethylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 27648413
N-(2-amino-1-cyclopropylethyl)-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119613306
N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500419
N-[1-(3,4-difluorophenyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43003466
N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35710044
N-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119640149
N-(1-amino-4-methylpentan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119586887
N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide
CID 42940283

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride (CID 119585798) is N-(1-amino-4-methylpentan-2-yl)-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride is CCNS(=O)(=O)c1ccc(C)c(C(=O)NC(CN)CC(C)C)c1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride?
The InChIKey is UPZOEWCIMURECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S.ClH/c1-5-18-23(21,22)14-7-6-12(4)15(9-14)16(20)19-13(10-17)8-11(2)3;/h6-7,9,11,13,18H,5,8,10,17H2,1-4H3,(H,19,20);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride has a molecular weight of 377.94 g/mol, XLogP of 1.82, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 119585798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).