N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methylbenzamide;hydrochloride

C17H28ClN3O3S — CID 119614141

IUPACN-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methylbenzamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC(CN)C2CC2)c1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-4-20(5-2)24(22,23)14-9-6-12(3)15(10-14)17(21)19-16(11-18)13-7-8-13;/h6,9-10,13,16H,4-5,7-8,11,18H2,1-3H3,(H,19,21);1H
InChIKeyTZXHPCMFRAVPQJ-UHFFFAOYSA-N
MW389.95 g/mol
LogP1.91
Rot. Bonds8

About N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methylbenzamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methylbenzamide;hydrochloride (PubChem CID 119614141) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methylbenzamide;hydrochloride
PubChem CID119614141
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methylbenzamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC(CN)C2CC2)c1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-4-20(5-2)24(22,23)14-9-6-12(3)15(10-14)17(21)19-16(11-18)13-7-8-13;/h6,9-10,13,16H,4-5,7-8,11,18H2,1-3H3,(H,19,21);1H
InChIKeyTZXHPCMFRAVPQJ-UHFFFAOYSA-N
XLogP1.91
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methoxybenzamide;hydrochloride
CID 119615087
N-(2-amino-1-cyclopropylethyl)-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119613306
2-cyclopropyl-2-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid
CID 119213891
N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide
CID 82883177
N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119616294
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998
N-(2-amino-1-cyclopropylethyl)-2-methyl-5-methylsulfanylbenzamide
CID 119614910
5-(diethylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120577294
N-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 119617620
4-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230116
5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171
N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
CID 119588952

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methylbenzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methylbenzamide;hydrochloride (CID 119614141) is N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methylbenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methylbenzamide;hydrochloride is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC(CN)C2CC2)c1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methylbenzamide;hydrochloride?
The InChIKey is TZXHPCMFRAVPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-4-20(5-2)24(22,23)14-9-6-12(3)15(10-14)17(21)19-16(11-18)13-7-8-13;/h6,9-10,13,16H,4-5,7-8,11,18H2,1-3H3,(H,19,21);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methylbenzamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methylbenzamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 119614141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).