3-[1-(2-methoxyphenyl)propylsulfamoyl]propanoic acid

C13H19NO5S — CID 43709145

IUPAC3-[1-(2-methoxyphenyl)propylsulfamoyl]propanoic acid
SMILESCCC(NS(=O)(=O)CCC(=O)O)c1ccccc1OC
InChIInChI=1S/C13H19NO5S/c1-3-11(10-6-4-5-7-12(10)19-2)14-20(17,18)9-8-13(15)16/h4-7,11,14H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyKHKIDNYHWUGJAL-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.54
Rot. Bonds8

About 3-[1-(2-methoxyphenyl)propylsulfamoyl]propanoic acid

3-[1-(2-methoxyphenyl)propylsulfamoyl]propanoic acid (PubChem CID 43709145) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is 3-[1-(2-methoxyphenyl)propylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-methoxyphenyl)propylsulfamoyl]propanoic acid
PubChem CID43709145
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name3-[1-(2-methoxyphenyl)propylsulfamoyl]propanoic acid
SMILESCCC(NS(=O)(=O)CCC(=O)O)c1ccccc1OC
InChIInChI=1S/C13H19NO5S/c1-3-11(10-6-4-5-7-12(10)19-2)14-20(17,18)9-8-13(15)16/h4-7,11,14H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyKHKIDNYHWUGJAL-UHFFFAOYSA-N
XLogP1.54
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid
CID 43361900
3-[1-(2-methoxyphenyl)propylamino]propanoic acid
CID 43774787
3-[1-(2-propan-2-yloxyphenyl)ethylsulfamoyl]propanoic acid
CID 43716797
4-(2-methoxyphenyl)-4-(methylamino)butanoic acid
CID 112517908
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-methoxyethanesulfonamide
CID 95775445
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]ethanesulfonamide
CID 95781613
methyl 2-[1-(2-methoxyphenyl)propylamino]-2-methylpropanoate
CID 43787124
3-[2-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid
CID 28514163
3-(2-methoxyphenyl)sulfonylpropanoic acid
CID 61297989
4-[1-(2-methoxyphenyl)propylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992983
2-bromo-N-[1-(2-methoxyphenyl)propyl]butanamide
CID 62855577

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyphenyl)propylsulfamoyl]propanoic acid?
The IUPAC name of 3-[1-(2-methoxyphenyl)propylsulfamoyl]propanoic acid (CID 43709145) is 3-[1-(2-methoxyphenyl)propylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[1-(2-methoxyphenyl)propylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[1-(2-methoxyphenyl)propylsulfamoyl]propanoic acid is CCC(NS(=O)(=O)CCC(=O)O)c1ccccc1OC.
What is the InChIKey of 3-[1-(2-methoxyphenyl)propylsulfamoyl]propanoic acid?
The InChIKey is KHKIDNYHWUGJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-3-11(10-6-4-5-7-12(10)19-2)14-20(17,18)9-8-13(15)16/h4-7,11,14H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of 3-[1-(2-methoxyphenyl)propylsulfamoyl]propanoic acid?
3-[1-(2-methoxyphenyl)propylsulfamoyl]propanoic acid has a molecular weight of 301.36 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyphenyl)propylsulfamoyl]propanoic acid is sourced from PubChem (CID 43709145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).