(2S)-2-amino-N-(4-ethylsulfonylphenyl)butanamide

C12H18N2O3S — CID 79024721

IUPAC(2S)-2-amino-N-(4-ethylsulfonylphenyl)butanamide
SMILESCC[C@H](N)C(=O)Nc1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C12H18N2O3S/c1-3-11(13)12(15)14-9-5-7-10(8-6-9)18(16,17)4-2/h5-8,11H,3-4,13H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyYYBSOLNJWYQNBE-NSHDSACASA-N
MW270.35 g/mol
LogP1.16
Rot. Bonds5

About (2S)-2-amino-N-(4-ethylsulfonylphenyl)butanamide

(2S)-2-amino-N-(4-ethylsulfonylphenyl)butanamide (PubChem CID 79024721) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-ethylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-ethylsulfonylphenyl)butanamide
PubChem CID79024721
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name(2S)-2-amino-N-(4-ethylsulfonylphenyl)butanamide
SMILESCC[C@H](N)C(=O)Nc1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C12H18N2O3S/c1-3-11(13)12(15)14-9-5-7-10(8-6-9)18(16,17)4-2/h5-8,11H,3-4,13H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyYYBSOLNJWYQNBE-NSHDSACASA-N
XLogP1.16
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 43704509
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 61259711
3-amino-N-(4-ethylsulfonylphenyl)-2-methylpropanamide
CID 62669246
(2S)-2-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide
CID 79024483
4-[[(2S)-2-aminobutanoyl]amino]benzoic acid
CID 79023274
2-amino-N-(4-ethylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 115286247
(2R)-2-amino-N-(4-sulfamoylphenyl)pentanamide
CID 107568013
N-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide
CID 43109034
(2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]butanamide
CID 79024584
(2S)-2-amino-3-hydroxy-N-(4-methylsulfonylphenyl)propanamide;hydrochloride
CID 67615409
ethyl 4-(2-aminobutanoylamino)benzoate
CID 61252115
(2S)-2-amino-N-[4-(methylsulfamoyl)phenyl]pentanamide
CID 107568654

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-ethylsulfonylphenyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(4-ethylsulfonylphenyl)butanamide (CID 79024721) is (2S)-2-amino-N-(4-ethylsulfonylphenyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-ethylsulfonylphenyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(4-ethylsulfonylphenyl)butanamide is CC[C@H](N)C(=O)Nc1ccc(S(=O)(=O)CC)cc1.
What is the InChIKey of (2S)-2-amino-N-(4-ethylsulfonylphenyl)butanamide?
The InChIKey is YYBSOLNJWYQNBE-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-11(13)12(15)14-9-5-7-10(8-6-9)18(16,17)4-2/h5-8,11H,3-4,13H2,1-2H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-ethylsulfonylphenyl)butanamide?
(2S)-2-amino-N-(4-ethylsulfonylphenyl)butanamide has a molecular weight of 270.35 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-ethylsulfonylphenyl)butanamide is sourced from PubChem (CID 79024721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).