3-acetyl-N-(2-amino-2-ethylbutyl)benzenesulfonamide

C14H22N2O3S — CID 84591289

IUPAC3-acetyl-N-(2-amino-2-ethylbutyl)benzenesulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C14H22N2O3S/c1-4-14(15,5-2)10-16-20(18,19)13-8-6-7-12(9-13)11(3)17/h6-9,16H,4-5,10,15H2,1-3H3
InChIKeyBMQFZUYYKMFODG-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.68
Rot. Bonds7

About 3-acetyl-N-(2-amino-2-ethylbutyl)benzenesulfonamide

3-acetyl-N-(2-amino-2-ethylbutyl)benzenesulfonamide (PubChem CID 84591289) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-acetyl-N-(2-amino-2-ethylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(2-amino-2-ethylbutyl)benzenesulfonamide
PubChem CID84591289
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-acetyl-N-(2-amino-2-ethylbutyl)benzenesulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C14H22N2O3S/c1-4-14(15,5-2)10-16-20(18,19)13-8-6-7-12(9-13)11(3)17/h6-9,16H,4-5,10,15H2,1-3H3
InChIKeyBMQFZUYYKMFODG-UHFFFAOYSA-N
XLogP1.68
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-acetyl-N-(2-amino-2-ethylbutyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetyl-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65042547
N-(2-amino-2-ethylbutyl)-3-ethylbenzenesulfonamide
CID 119990108
N-(2-amino-2-ethylbutyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119990005
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
3-acetyl-N-(3,3-dimethyl-2-oxobutyl)benzenesulfonamide
CID 64994049
3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 110787259
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
tert-butyl N-[1-[(3-acetylphenyl)sulfonylamino]-2-methylpropan-2-yl]carbamate
CID 110669033
N-(2-amino-2-ethylbutyl)-3-cyanobenzenesulfonamide
CID 99627369
3-acetyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501553
3-acetyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 78966562
3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide
CID 43591526

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(2-amino-2-ethylbutyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(2-amino-2-ethylbutyl)benzenesulfonamide (CID 84591289) is 3-acetyl-N-(2-amino-2-ethylbutyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(2-amino-2-ethylbutyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(2-amino-2-ethylbutyl)benzenesulfonamide is CCC(N)(CC)CNS(=O)(=O)c1cccc(C(C)=O)c1.
What is the InChIKey of 3-acetyl-N-(2-amino-2-ethylbutyl)benzenesulfonamide?
The InChIKey is BMQFZUYYKMFODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-14(15,5-2)10-16-20(18,19)13-8-6-7-12(9-13)11(3)17/h6-9,16H,4-5,10,15H2,1-3H3.
What are the key properties of 3-acetyl-N-(2-amino-2-ethylbutyl)benzenesulfonamide?
3-acetyl-N-(2-amino-2-ethylbutyl)benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(2-amino-2-ethylbutyl)benzenesulfonamide is sourced from PubChem (CID 84591289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).