4-methoxy-2-[(2-methoxyphenyl)sulfonylamino]butanoic acid

C12H17NO6S — CID 62479342

IUPAC4-methoxy-2-[(2-methoxyphenyl)sulfonylamino]butanoic acid
SMILESCOCCC(NS(=O)(=O)c1ccccc1OC)C(=O)O
InChIInChI=1S/C12H17NO6S/c1-18-8-7-9(12(14)15)13-20(16,17)11-6-4-3-5-10(11)19-2/h3-6,9,13H,7-8H2,1-2H3,(H,14,15)
InChIKeyNCVQIHIMBHLXRK-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.46
Rot. Bonds8

About 4-methoxy-2-[(2-methoxyphenyl)sulfonylamino]butanoic acid

4-methoxy-2-[(2-methoxyphenyl)sulfonylamino]butanoic acid (PubChem CID 62479342) has the molecular formula C12H17NO6S and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-methoxy-2-[(2-methoxyphenyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(2-methoxyphenyl)sulfonylamino]butanoic acid
PubChem CID62479342
Molecular FormulaC12H17NO6S
Molecular Weight303.34 g/mol
Exact Mass303.08
IUPAC Name4-methoxy-2-[(2-methoxyphenyl)sulfonylamino]butanoic acid
SMILESCOCCC(NS(=O)(=O)c1ccccc1OC)C(=O)O
InChIInChI=1S/C12H17NO6S/c1-18-8-7-9(12(14)15)13-20(16,17)11-6-4-3-5-10(11)19-2/h3-6,9,13H,7-8H2,1-2H3,(H,14,15)
InChIKeyNCVQIHIMBHLXRK-UHFFFAOYSA-N
XLogP0.46
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-4-methoxybutanoic acid
CID 62478089
2-[(5-fluoro-2-methylphenyl)sulfonylamino]-4-methoxybutanoic acid
CID 62480757
4-methoxy-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
CID 62478448
2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244972
2-[(2,4-dimethoxyphenyl)sulfonylamino]pentanoic acid
CID 43631181
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide
CID 79027643
methyl 2-[(2-methoxyphenyl)sulfonylamino]propanoate
CID 60639230
(2R)-4-hydroxy-2-[(2-methoxycarbonylphenyl)sulfonylamino]butanoic acid
CID 104933807
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]pentanoic acid
CID 43631274
2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-4-methoxybutanoic acid
CID 62478269
2-[(4-ethoxyphenyl)sulfonylamino]-4-methoxybutanoic acid
CID 62478985
2-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]pentanoic acid
CID 120820494

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(2-methoxyphenyl)sulfonylamino]butanoic acid?
The IUPAC name of 4-methoxy-2-[(2-methoxyphenyl)sulfonylamino]butanoic acid (CID 62479342) is 4-methoxy-2-[(2-methoxyphenyl)sulfonylamino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[(2-methoxyphenyl)sulfonylamino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[(2-methoxyphenyl)sulfonylamino]butanoic acid is COCCC(NS(=O)(=O)c1ccccc1OC)C(=O)O.
What is the InChIKey of 4-methoxy-2-[(2-methoxyphenyl)sulfonylamino]butanoic acid?
The InChIKey is NCVQIHIMBHLXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6S/c1-18-8-7-9(12(14)15)13-20(16,17)11-6-4-3-5-10(11)19-2/h3-6,9,13H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 4-methoxy-2-[(2-methoxyphenyl)sulfonylamino]butanoic acid?
4-methoxy-2-[(2-methoxyphenyl)sulfonylamino]butanoic acid has a molecular weight of 303.34 g/mol, XLogP of 0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(2-methoxyphenyl)sulfonylamino]butanoic acid is sourced from PubChem (CID 62479342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).