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

C14H19N3O6S — CID 119224998

IUPAC2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(C)C(=O)NC(C)C(=O)O)cc1
InChIInChI=1S/C14H19N3O6S/c1-8(13(19)15-9(2)14(20)21)17-24(22,23)12-6-4-11(5-7-12)16-10(3)18/h4-9,17H,1-3H3,(H,15,19)(H,16,18)(H,20,21)
InChIKeyGLYJLHZANSSYHV-UHFFFAOYSA-N
MW357.39 g/mol
LogP-0.10
Rot. Bonds7

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

2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid (PubChem CID 119224998) has the molecular formula C14H19N3O6S and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid
PubChem CID119224998
Molecular FormulaC14H19N3O6S
Molecular Weight357.39 g/mol
Exact Mass357.10
IUPAC Name2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(C)C(=O)NC(C)C(=O)O)cc1
InChIInChI=1S/C14H19N3O6S/c1-8(13(19)15-9(2)14(20)21)17-24(22,23)12-6-4-11(5-7-12)16-10(3)18/h4-9,17H,1-3H3,(H,15,19)(H,16,18)(H,20,21)
InChIKeyGLYJLHZANSSYHV-UHFFFAOYSA-N
XLogP-0.10
TPSA141.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylbutanoic acid
CID 773550
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-phenylphenyl)propanamide
CID 26011344
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 24537324
2-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl-methylamino]propanoic acid
CID 119208731
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 7448579
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(7-methyloctyl)propanamide
CID 36618447
N-[4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 39086802

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid?
The IUPAC name of 2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid (CID 119224998) is 2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid.
What is the SMILES notation for 2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid?
The canonical SMILES for 2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid is CC(=O)Nc1ccc(S(=O)(=O)NC(C)C(=O)NC(C)C(=O)O)cc1.
What is the InChIKey of 2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid?
The InChIKey is GLYJLHZANSSYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O6S/c1-8(13(19)15-9(2)14(20)21)17-24(22,23)12-6-4-11(5-7-12)16-10(3)18/h4-9,17H,1-3H3,(H,15,19)(H,16,18)(H,20,21).
What are the key properties of 2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid?
2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid has a molecular weight of 357.39 g/mol, XLogP of -0.10, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid is sourced from PubChem (CID 119224998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).