N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide

C12H19N3O3S — CID 119382412

IUPACN-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCN)c1
InChIInChI=1S/C12H19N3O3S/c1-3-15-19(17,18)10-5-4-9(2)11(8-10)12(16)14-7-6-13/h4-5,8,15H,3,6-7,13H2,1-2H3,(H,14,16)
InChIKeyUQGNSCITJQJKAZ-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.02
Rot. Bonds6

About N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide

N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide (PubChem CID 119382412) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
PubChem CID119382412
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCN)c1
InChIInChI=1S/C12H19N3O3S/c1-3-15-19(17,18)10-5-4-9(2)11(8-10)12(16)14-7-6-13/h4-5,8,15H,3,6-7,13H2,1-2H3,(H,14,16)
InChIKeyUQGNSCITJQJKAZ-UHFFFAOYSA-N
XLogP-0.02
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35710044
5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500419
N-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119640149
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 55659290
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998
5-(ethylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 27648413
N-(5-chloro-2-methylphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43007142
5-(ethylsulfamoyl)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783242
N-[2-(1-adamantyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 46448735
N-(1-amino-4-methylpentan-2-yl)-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119585798
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 87043542

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide (CID 119382412) is N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)NCCN)c1.
What is the InChIKey of N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide?
The InChIKey is UQGNSCITJQJKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-3-15-19(17,18)10-5-4-9(2)11(8-10)12(16)14-7-6-13/h4-5,8,15H,3,6-7,13H2,1-2H3,(H,14,16).
What are the key properties of N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide?
N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide has a molecular weight of 285.37 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 119382412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).