2-methoxy-2-methyl-3-oxo-3-[4-(propan-2-ylsulfamoyl)anilino]propanoic acid

C14H20N2O6S — CID 138032225

IUPAC2-methoxy-2-methyl-3-oxo-3-[4-(propan-2-ylsulfamoyl)anilino]propanoic acid
SMILESCOC(C)(C(=O)O)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C14H20N2O6S/c1-9(2)16-23(20,21)11-7-5-10(6-8-11)15-12(17)14(3,22-4)13(18)19/h5-9,16H,1-4H3,(H,15,17)(H,18,19)
InChIKeyFNNCCAOJXVAJRW-UHFFFAOYSA-N
MW344.39 g/mol
LogP0.80
Rot. Bonds7

About 2-methoxy-2-methyl-3-oxo-3-[4-(propan-2-ylsulfamoyl)anilino]propanoic acid

2-methoxy-2-methyl-3-oxo-3-[4-(propan-2-ylsulfamoyl)anilino]propanoic acid (PubChem CID 138032225) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-methoxy-2-methyl-3-oxo-3-[4-(propan-2-ylsulfamoyl)anilino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-2-methyl-3-oxo-3-[4-(propan-2-ylsulfamoyl)anilino]propanoic acid
PubChem CID138032225
Molecular FormulaC14H20N2O6S
Molecular Weight344.39 g/mol
Exact Mass344.10
IUPAC Name2-methoxy-2-methyl-3-oxo-3-[4-(propan-2-ylsulfamoyl)anilino]propanoic acid
SMILESCOC(C)(C(=O)O)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C14H20N2O6S/c1-9(2)16-23(20,21)11-7-5-10(6-8-11)15-12(17)14(3,22-4)13(18)19/h5-9,16H,1-4H3,(H,15,17)(H,18,19)
InChIKeyFNNCCAOJXVAJRW-UHFFFAOYSA-N
XLogP0.80
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 58611685
2-amino-2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 119685767
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119269225
2,2-diphenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 1263402
N-(4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 25400706
2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 18668315
3-[4-(cyclohexylcarbamoyl)anilino]-2-methoxy-2-methyl-3-oxopropanoic acid
CID 146136092
N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936
2-methyl-2-[4-(propan-2-ylsulfamoyl)anilino]propanamide
CID 61221166
3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]but-2-enamide
CID 26715230
N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide
CID 4924725
(2R)-N-[4-(propan-2-ylsulfamoyl)phenyl]-2-[4-(trifluoromethoxy)anilino]propanamide
CID 51925783

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-3-oxo-3-[4-(propan-2-ylsulfamoyl)anilino]propanoic acid?
The IUPAC name of 2-methoxy-2-methyl-3-oxo-3-[4-(propan-2-ylsulfamoyl)anilino]propanoic acid (CID 138032225) is 2-methoxy-2-methyl-3-oxo-3-[4-(propan-2-ylsulfamoyl)anilino]propanoic acid.
What is the SMILES notation for 2-methoxy-2-methyl-3-oxo-3-[4-(propan-2-ylsulfamoyl)anilino]propanoic acid?
The canonical SMILES for 2-methoxy-2-methyl-3-oxo-3-[4-(propan-2-ylsulfamoyl)anilino]propanoic acid is COC(C)(C(=O)O)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of 2-methoxy-2-methyl-3-oxo-3-[4-(propan-2-ylsulfamoyl)anilino]propanoic acid?
The InChIKey is FNNCCAOJXVAJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6S/c1-9(2)16-23(20,21)11-7-5-10(6-8-11)15-12(17)14(3,22-4)13(18)19/h5-9,16H,1-4H3,(H,15,17)(H,18,19).
What are the key properties of 2-methoxy-2-methyl-3-oxo-3-[4-(propan-2-ylsulfamoyl)anilino]propanoic acid?
2-methoxy-2-methyl-3-oxo-3-[4-(propan-2-ylsulfamoyl)anilino]propanoic acid has a molecular weight of 344.39 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-3-oxo-3-[4-(propan-2-ylsulfamoyl)anilino]propanoic acid is sourced from PubChem (CID 138032225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).