N-(2-amino-2-ethylbutyl)-2-methylsulfonylbenzamide

C14H22N2O3S — CID 119640864

IUPACN-(2-amino-2-ethylbutyl)-2-methylsulfonylbenzamide
SMILESCCC(N)(CC)CNC(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-4-14(15,5-2)10-16-13(17)11-8-6-7-9-12(11)20(3,18)19/h6-9H,4-5,10,15H2,1-3H3,(H,16,17)
InChIKeyIEIUZOGHGYQLRR-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.34
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-2-methylsulfonylbenzamide

N-(2-amino-2-ethylbutyl)-2-methylsulfonylbenzamide (PubChem CID 119640864) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-methylsulfonylbenzamide
PubChem CID119640864
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(2-amino-2-ethylbutyl)-2-methylsulfonylbenzamide
SMILESCCC(N)(CC)CNC(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-4-14(15,5-2)10-16-13(17)11-8-6-7-9-12(11)20(3,18)19/h6-9H,4-5,10,15H2,1-3H3,(H,16,17)
InChIKeyIEIUZOGHGYQLRR-UHFFFAOYSA-N
XLogP1.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-(propylsulfonylamino)benzamide
CID 119639934
N-(2-amino-2-methylpropyl)-2-ethylsulfonylbenzamide
CID 119629127
N-(2-amino-2-ethylbutyl)-2-benzoylbenzamide;hydrochloride
CID 119639602
N-(2-amino-2-ethylbutyl)-3-bromo-2-methylbenzamide
CID 81483938
N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride
CID 119629136
N-(2-amino-2-ethylbutyl)-2-ethoxybenzamide
CID 81484030
2-(2,2-dimethylbutylcarbamoyl)benzenesulfonic acid
CID 54199366
N-(2-amino-2-ethylbutyl)-2-propan-2-ylsulfanylbenzamide;hydrochloride
CID 119642500
2-methylsulfonyl-N-prop-2-enylbenzamide
CID 31301978
N-(2-amino-2-methylpropyl)-2-propan-2-ylsulfonylbenzamide;hydrochloride
CID 119629770
N-(2-amino-2-ethylbutyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide
CID 119639773
N-hydroxy-2-methylsulfonylbenzamide
CID 20613410

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-methylsulfonylbenzamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-methylsulfonylbenzamide (CID 119640864) is N-(2-amino-2-ethylbutyl)-2-methylsulfonylbenzamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-methylsulfonylbenzamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-methylsulfonylbenzamide is CCC(N)(CC)CNC(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-methylsulfonylbenzamide?
The InChIKey is IEIUZOGHGYQLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-14(15,5-2)10-16-13(17)11-8-6-7-9-12(11)20(3,18)19/h6-9H,4-5,10,15H2,1-3H3,(H,16,17).
What are the key properties of N-(2-amino-2-ethylbutyl)-2-methylsulfonylbenzamide?
N-(2-amino-2-ethylbutyl)-2-methylsulfonylbenzamide has a molecular weight of 298.41 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-methylsulfonylbenzamide is sourced from PubChem (CID 119640864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).