3-[2-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid

C12H17NO5S — CID 28514163

IUPAC3-[2-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid
SMILESCOc1ccccc1CCNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C12H17NO5S/c1-18-11-5-3-2-4-10(11)6-8-13-19(16,17)9-7-12(14)15/h2-5,13H,6-9H2,1H3,(H,14,15)
InChIKeyNGLCEUNIUHTKBO-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.63
Rot. Bonds8

About 3-[2-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid

3-[2-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid (PubChem CID 28514163) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-[2-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid
PubChem CID28514163
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name3-[2-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid
SMILESCOc1ccccc1CCNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C12H17NO5S/c1-18-11-5-3-2-4-10(11)6-8-13-19(16,17)9-7-12(14)15/h2-5,13H,6-9H2,1H3,(H,14,15)
InChIKeyNGLCEUNIUHTKBO-UHFFFAOYSA-N
XLogP0.63
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 106261839
2,2,2-trifluoro-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 143860168
5-(2-methoxyphenyl)pentanoic acid
CID 25050817
2-(4-ethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 90518814
3-[1-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid
CID 43361900
7-(2-methoxyphenyl)heptanoic acid
CID 59451681
3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 31115017
2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid
CID 94687146
4-[2-(2-fluorophenyl)ethylsulfamoyl]butanoic acid
CID 28513594
3-hydroxy-4-[2-(2-methoxyphenyl)ethylamino]butanoic acid
CID 106261779
3-[1-(2-methoxyphenyl)propylsulfamoyl]propanoic acid
CID 43709145
3-(2-methoxyphenyl)sulfonylpropanoic acid
CID 61297989

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid?
The IUPAC name of 3-[2-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid (CID 28514163) is 3-[2-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[2-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[2-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid is COc1ccccc1CCNS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[2-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid?
The InChIKey is NGLCEUNIUHTKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-18-11-5-3-2-4-10(11)6-8-13-19(16,17)9-7-12(14)15/h2-5,13H,6-9H2,1H3,(H,14,15).
What are the key properties of 3-[2-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid?
3-[2-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid has a molecular weight of 287.34 g/mol, XLogP of 0.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid is sourced from PubChem (CID 28514163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).