3-methoxy-2-[2-(propylsulfamoyl)anilino]propanoic acid

C13H20N2O5S — CID 81083785

IUPAC3-methoxy-2-[2-(propylsulfamoyl)anilino]propanoic acid
SMILESCCCNS(=O)(=O)c1ccccc1NC(COC)C(=O)O
InChIInChI=1S/C13H20N2O5S/c1-3-8-14-21(18,19)12-7-5-4-6-10(12)15-11(9-20-2)13(16)17/h4-7,11,14-15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyGOYOMFRYUJIOLF-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.89
Rot. Bonds9

About 3-methoxy-2-[2-(propylsulfamoyl)anilino]propanoic acid

3-methoxy-2-[2-(propylsulfamoyl)anilino]propanoic acid (PubChem CID 81083785) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-methoxy-2-[2-(propylsulfamoyl)anilino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[2-(propylsulfamoyl)anilino]propanoic acid
PubChem CID81083785
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name3-methoxy-2-[2-(propylsulfamoyl)anilino]propanoic acid
SMILESCCCNS(=O)(=O)c1ccccc1NC(COC)C(=O)O
InChIInChI=1S/C13H20N2O5S/c1-3-8-14-21(18,19)12-7-5-4-6-10(12)15-11(9-20-2)13(16)17/h4-7,11,14-15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyGOYOMFRYUJIOLF-UHFFFAOYSA-N
XLogP0.89
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-propylbenzenesulfonamide
CID 106186569
2-[(3-hydroxy-4-methoxybutyl)amino]-N-propylbenzenesulfonamide
CID 106245938
methyl 2-[2-(ethylsulfamoyl)anilino]-3-hydroxypropanoate
CID 62004727
3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid
CID 103268791
2-[1-(dimethylamino)propan-2-ylamino]-N-propylbenzenesulfonamide
CID 82938360
2-[2-(ethylsulfamoyl)anilino]propanoic acid
CID 43468803
2,2-dimethyl-3-[2-(propylsulfamoyl)anilino]propanamide
CID 106277705
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
3-methoxy-2-(2-nitroanilino)propanoic acid
CID 81077702
2-[3-(2-aminoethoxy)propylamino]-N-propylbenzenesulfonamide
CID 106308340
2-[(2-hydroxy-2-methylbutyl)amino]-N-propylbenzenesulfonamide
CID 65110251
2-[2-(methoxymethyl)anilino]pentanoic acid
CID 83041000

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[2-(propylsulfamoyl)anilino]propanoic acid?
The IUPAC name of 3-methoxy-2-[2-(propylsulfamoyl)anilino]propanoic acid (CID 81083785) is 3-methoxy-2-[2-(propylsulfamoyl)anilino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[2-(propylsulfamoyl)anilino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[2-(propylsulfamoyl)anilino]propanoic acid is CCCNS(=O)(=O)c1ccccc1NC(COC)C(=O)O.
What is the InChIKey of 3-methoxy-2-[2-(propylsulfamoyl)anilino]propanoic acid?
The InChIKey is GOYOMFRYUJIOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-3-8-14-21(18,19)12-7-5-4-6-10(12)15-11(9-20-2)13(16)17/h4-7,11,14-15H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of 3-methoxy-2-[2-(propylsulfamoyl)anilino]propanoic acid?
3-methoxy-2-[2-(propylsulfamoyl)anilino]propanoic acid has a molecular weight of 316.38 g/mol, XLogP of 0.89, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[2-(propylsulfamoyl)anilino]propanoic acid is sourced from PubChem (CID 81083785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).