2-amino-N-(2-ethylsulfonylphenyl)-3,3-dimethylbutanamide

C14H22N2O3S — CID 76892969

IUPAC2-amino-N-(2-ethylsulfonylphenyl)-3,3-dimethylbutanamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)C(N)C(C)(C)C
InChIInChI=1S/C14H22N2O3S/c1-5-20(18,19)11-9-7-6-8-10(11)16-13(17)12(15)14(2,3)4/h6-9,12H,5,15H2,1-4H3,(H,16,17)
InChIKeyJXGRFOMHWAFSNF-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.79
Rot. Bonds4

About 2-amino-N-(2-ethylsulfonylphenyl)-3,3-dimethylbutanamide

2-amino-N-(2-ethylsulfonylphenyl)-3,3-dimethylbutanamide (PubChem CID 76892969) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-amino-N-(2-ethylsulfonylphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-ethylsulfonylphenyl)-3,3-dimethylbutanamide
PubChem CID76892969
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-amino-N-(2-ethylsulfonylphenyl)-3,3-dimethylbutanamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)C(N)C(C)(C)C
InChIInChI=1S/C14H22N2O3S/c1-5-20(18,19)11-9-7-6-8-10(11)16-13(17)12(15)14(2,3)4/h6-9,12H,5,15H2,1-4H3,(H,16,17)
InChIKeyJXGRFOMHWAFSNF-UHFFFAOYSA-N
XLogP1.79
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(2-ethylsulfonylphenyl)butanamide
CID 62856138
3-(2-ethylsulfonylanilino)-2-methyl-3-oxopropanoic acid
CID 114898053
(2R)-2-amino-3,3-dimethyl-N-(2-propylphenyl)butanamide
CID 103928701
2-[2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]acetic acid
CID 62535737
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide
CID 61148588
(2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670466
(2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide
CID 61148878
methyl 2-[(2-amino-3,3-dimethylbutanoyl)amino]benzoate
CID 76893535
(2S)-2-amino-N-[2-(dimethylamino)phenyl]-3,3-dimethylbutanamide
CID 61179694
3-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]propanoic acid
CID 107273592
(2R)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide
CID 103930147
2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892662

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethylsulfonylphenyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(2-ethylsulfonylphenyl)-3,3-dimethylbutanamide (CID 76892969) is 2-amino-N-(2-ethylsulfonylphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(2-ethylsulfonylphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(2-ethylsulfonylphenyl)-3,3-dimethylbutanamide is CCS(=O)(=O)c1ccccc1NC(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-N-(2-ethylsulfonylphenyl)-3,3-dimethylbutanamide?
The InChIKey is JXGRFOMHWAFSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-5-20(18,19)11-9-7-6-8-10(11)16-13(17)12(15)14(2,3)4/h6-9,12H,5,15H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-N-(2-ethylsulfonylphenyl)-3,3-dimethylbutanamide?
2-amino-N-(2-ethylsulfonylphenyl)-3,3-dimethylbutanamide has a molecular weight of 298.41 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethylsulfonylphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 76892969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).