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

C17H28ClN3O4S — CID 119615087

IUPACN-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methoxybenzamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NC(CN)C2CC2)c1.Cl
InChIInChI=1S/C17H27N3O4S.ClH/c1-4-20(5-2)25(22,23)13-8-9-16(24-3)14(10-13)17(21)19-15(11-18)12-6-7-12;/h8-10,12,15H,4-7,11,18H2,1-3H3,(H,19,21);1H
InChIKeyGYKCVIDLYUBSEB-UHFFFAOYSA-N
MW405.95 g/mol
LogP1.61
Rot. Bonds9

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

N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methoxybenzamide;hydrochloride (PubChem CID 119615087) has the molecular formula C17H28ClN3O4S and a molecular weight of 405.95 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methoxybenzamide;hydrochloride
PubChem CID119615087
Molecular FormulaC17H28ClN3O4S
Molecular Weight405.95 g/mol
Exact Mass405.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methoxybenzamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NC(CN)C2CC2)c1.Cl
InChIInChI=1S/C17H27N3O4S.ClH/c1-4-20(5-2)25(22,23)13-8-9-16(24-3)14(10-13)17(21)19-15(11-18)12-6-7-12;/h8-10,12,15H,4-7,11,18H2,1-3H3,(H,19,21);1H
InChIKeyGYKCVIDLYUBSEB-UHFFFAOYSA-N
XLogP1.61
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119614141
N-(2-amino-1-cyclohexylethyl)-2-methoxy-5-nitrobenzamide;hydrochloride
CID 119591922
N-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide
CID 65188794
5-(diethylsulfamoyl)-2-methoxy-N-phenylbenzamide
CID 19257737
N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzamide;hydrochloride
CID 119614737
N-(2-amino-1-cyclopropylethyl)-5-chloro-4-iodo-2-methoxybenzamide;hydrochloride
CID 119615563
N-(2-amino-1-cyclopropylethyl)-4-chloro-2-methoxybenzamide;hydrochloride
CID 119617277
N-(2-amino-1-cyclopropylethyl)-2-methoxy-4-nitrobenzamide
CID 104783824
5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 19257781
N-(2-amino-1-cyclopropylethyl)-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119613306
5-(diethylsulfamoyl)-N-(3-fluoro-4-methoxyphenyl)-2-methoxybenzamide
CID 55796499
N-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 119617620

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methoxybenzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methoxybenzamide;hydrochloride (CID 119615087) is N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methoxybenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methoxybenzamide;hydrochloride is CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NC(CN)C2CC2)c1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methoxybenzamide;hydrochloride?
The InChIKey is GYKCVIDLYUBSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S.ClH/c1-4-20(5-2)25(22,23)13-8-9-16(24-3)14(10-13)17(21)19-15(11-18)12-6-7-12;/h8-10,12,15H,4-7,11,18H2,1-3H3,(H,19,21);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methoxybenzamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methoxybenzamide;hydrochloride has a molecular weight of 405.95 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119615087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).