N-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide

C16H27N3O3S — CID 119640149

IUPACN-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCC(N)(CC)CC)c1
InChIInChI=1S/C16H27N3O3S/c1-5-16(17,6-2)11-18-15(20)14-10-13(9-8-12(14)4)23(21,22)19-7-3/h8-10,19H,5-7,11,17H2,1-4H3,(H,18,20)
InChIKeyDJUZJOROYVSJQO-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.54
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide

N-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide (PubChem CID 119640149) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide
PubChem CID119640149
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCC(N)(CC)CC)c1
InChIInChI=1S/C16H27N3O3S/c1-5-16(17,6-2)11-18-15(20)14-10-13(9-8-12(14)4)23(21,22)19-7-3/h8-10,19H,5-7,11,17H2,1-4H3,(H,18,20)
InChIKeyDJUZJOROYVSJQO-UHFFFAOYSA-N
XLogP1.54
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35710044
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500419
N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 55659290
5-(ethylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 27648413
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-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 87043542
N-(5-chloro-2-methylphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43007142
5-(ethylsulfamoyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 25486579
N-(2-amino-2-methylpropyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119630221

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide (CID 119640149) is N-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)NCC(N)(CC)CC)c1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide?
The InChIKey is DJUZJOROYVSJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-5-16(17,6-2)11-18-15(20)14-10-13(9-8-12(14)4)23(21,22)19-7-3/h8-10,19H,5-7,11,17H2,1-4H3,(H,18,20).
What are the key properties of N-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide?
N-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide has a molecular weight of 341.48 g/mol, XLogP of 1.54, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 119640149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).