2-[(4-acetamidophenyl)sulfonylamino]propanoic acid

C11H14N2O5S — CID 3393223

IUPAC2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(C)C(=O)O)cc1
InChIInChI=1S/C11H14N2O5S/c1-7(11(15)16)13-19(17,18)10-5-3-9(4-6-10)12-8(2)14/h3-7,13H,1-2H3,(H,12,14)(H,15,16)
InChIKeyMICBDQHPLNZBLY-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.40
Rot. Bonds5

About 2-[(4-acetamidophenyl)sulfonylamino]propanoic acid

2-[(4-acetamidophenyl)sulfonylamino]propanoic acid (PubChem CID 3393223) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
PubChem CID3393223
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(C)C(=O)O)cc1
InChIInChI=1S/C11H14N2O5S/c1-7(11(15)16)13-19(17,18)10-5-3-9(4-6-10)12-8(2)14/h3-7,13H,1-2H3,(H,12,14)(H,15,16)
InChIKeyMICBDQHPLNZBLY-UHFFFAOYSA-N
XLogP0.40
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(4-acetamidophenyl)sulfonylamino]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

2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119224998
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylbutanoic acid
CID 773550
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
2-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl-methylamino]propanoic acid
CID 119208731
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 7448579
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
N-[4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 39086802
(2S)-2-[(4-acetylphenyl)sulfonylamino]propanoic acid
CID 2080939
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
methyl 2-[[4-(4-acetamidophenyl)phenyl]sulfonylamino]propanoate
CID 17441403
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
N-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 730422

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]propanoic acid?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]propanoic acid (CID 3393223) is 2-[(4-acetamidophenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonylamino]propanoic acid is CC(=O)Nc1ccc(S(=O)(=O)NC(C)C(=O)O)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonylamino]propanoic acid?
The InChIKey is MICBDQHPLNZBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-7(11(15)16)13-19(17,18)10-5-3-9(4-6-10)12-8(2)14/h3-7,13H,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-[(4-acetamidophenyl)sulfonylamino]propanoic acid?
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid has a molecular weight of 286.31 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 3393223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).