2-[[2-(ethylsulfonylamino)benzoyl]amino]propanoic acid

C12H16N2O5S — CID 119225575

IUPAC2-[[2-(ethylsulfonylamino)benzoyl]amino]propanoic acid
SMILESCCS(=O)(=O)Nc1ccccc1C(=O)NC(C)C(=O)O
InChIInChI=1S/C12H16N2O5S/c1-3-20(18,19)14-10-7-5-4-6-9(10)11(15)13-8(2)12(16)17/h4-8,14H,3H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyAHRKPSYTKJNEDY-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.65
Rot. Bonds6

About 2-[[2-(ethylsulfonylamino)benzoyl]amino]propanoic acid

2-[[2-(ethylsulfonylamino)benzoyl]amino]propanoic acid (PubChem CID 119225575) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-[[2-(ethylsulfonylamino)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(ethylsulfonylamino)benzoyl]amino]propanoic acid
PubChem CID119225575
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name2-[[2-(ethylsulfonylamino)benzoyl]amino]propanoic acid
SMILESCCS(=O)(=O)Nc1ccccc1C(=O)NC(C)C(=O)O
InChIInChI=1S/C12H16N2O5S/c1-3-20(18,19)14-10-7-5-4-6-9(10)11(15)13-8(2)12(16)17/h4-8,14H,3H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyAHRKPSYTKJNEDY-UHFFFAOYSA-N
XLogP0.65
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(ethylsulfonylamino)benzoyl]amino]propanoic acid 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

(2S)-2-[[2-(propylsulfonylamino)benzoyl]amino]propanoic acid
CID 119943359
N-[(2S)-1-aminopropan-2-yl]-2-(ethylsulfonylamino)benzamide
CID 120505355
2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide
CID 47111066
2-[[2-(propylsulfonylamino)benzoyl]amino]butanoic acid
CID 120523197
(2R)-2-[(2-ethylsulfonylbenzoyl)amino]propanoic acid
CID 54991408
2-[[[2-(ethylsulfonylamino)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 119253441
N-[(2R)-2-(ethylamino)propyl]-2-(ethylsulfonylamino)benzamide
CID 120650735
N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
CID 967070
2-(ethylsulfonylamino)-N-(2-methoxyethyl)benzamide
CID 47141588
N-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide
CID 119508738
2-(ethylsulfonylamino)-N-(4-methylphenyl)benzamide
CID 51179285
N-butan-2-yl-2-(3-chloropropylsulfonylamino)benzamide
CID 43653866

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylsulfonylamino)benzoyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(ethylsulfonylamino)benzoyl]amino]propanoic acid (CID 119225575) is 2-[[2-(ethylsulfonylamino)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(ethylsulfonylamino)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(ethylsulfonylamino)benzoyl]amino]propanoic acid is CCS(=O)(=O)Nc1ccccc1C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[[2-(ethylsulfonylamino)benzoyl]amino]propanoic acid?
The InChIKey is AHRKPSYTKJNEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-3-20(18,19)14-10-7-5-4-6-9(10)11(15)13-8(2)12(16)17/h4-8,14H,3H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[[2-(ethylsulfonylamino)benzoyl]amino]propanoic acid?
2-[[2-(ethylsulfonylamino)benzoyl]amino]propanoic acid has a molecular weight of 300.34 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylsulfonylamino)benzoyl]amino]propanoic acid is sourced from PubChem (CID 119225575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).