2-[2-methylpropyl-[3-[4-(methylsulfamoyl)phenyl]propanoyl]amino]acetic acid

C16H24N2O5S — CID 119192719

IUPAC2-[2-methylpropyl-[3-[4-(methylsulfamoyl)phenyl]propanoyl]amino]acetic acid
SMILESCNS(=O)(=O)c1ccc(CCC(=O)N(CC(=O)O)CC(C)C)cc1
InChIInChI=1S/C16H24N2O5S/c1-12(2)10-18(11-16(20)21)15(19)9-6-13-4-7-14(8-5-13)24(22,23)17-3/h4-5,7-8,12,17H,6,9-11H2,1-3H3,(H,20,21)
InChIKeyAEXGZJHPAOMWJI-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.10
Rot. Bonds9

About 2-[2-methylpropyl-[3-[4-(methylsulfamoyl)phenyl]propanoyl]amino]acetic acid

2-[2-methylpropyl-[3-[4-(methylsulfamoyl)phenyl]propanoyl]amino]acetic acid (PubChem CID 119192719) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-[2-methylpropyl-[3-[4-(methylsulfamoyl)phenyl]propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-[3-[4-(methylsulfamoyl)phenyl]propanoyl]amino]acetic acid
PubChem CID119192719
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name2-[2-methylpropyl-[3-[4-(methylsulfamoyl)phenyl]propanoyl]amino]acetic acid
SMILESCNS(=O)(=O)c1ccc(CCC(=O)N(CC(=O)O)CC(C)C)cc1
InChIInChI=1S/C16H24N2O5S/c1-12(2)10-18(11-16(20)21)15(19)9-6-13-4-7-14(8-5-13)24(22,23)17-3/h4-5,7-8,12,17H,6,9-11H2,1-3H3,(H,20,21)
InChIKeyAEXGZJHPAOMWJI-UHFFFAOYSA-N
XLogP1.10
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-chlorophenyl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 119192835
2-[3-[3-(methylcarbamoyl)phenyl]propanoyl-(2-methylpropyl)amino]acetic acid
CID 120517155
N-ethyl-N-(2-methylpropyl)-3-(4-sulfamoylphenyl)propanamide
CID 38591628
2-[carboxymethyl-[3-(4-ethylphenyl)propanoyl]amino]acetic acid
CID 63645904
2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119225063
3-methyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]butanoic acid
CID 119169867
2-[3-(4-ethylsulfonylphenyl)propanoyl-propylamino]acetic acid
CID 120519625
N-cyclohexyl-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51191477
2-[3-(2-methylphenyl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 63064470
N-methyl-N-[(4-methylphenyl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 18114332
N-(2-methoxyethyl)-3-[4-(methylsulfamoyl)phenyl]-N-pentan-3-ylpropanamide
CID 55796377
2-[carboxymethyl-[3-(4-methylphenyl)propanoyl]amino]acetic acid
CID 63651230

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-[3-[4-(methylsulfamoyl)phenyl]propanoyl]amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-[3-[4-(methylsulfamoyl)phenyl]propanoyl]amino]acetic acid (CID 119192719) is 2-[2-methylpropyl-[3-[4-(methylsulfamoyl)phenyl]propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-[3-[4-(methylsulfamoyl)phenyl]propanoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-[3-[4-(methylsulfamoyl)phenyl]propanoyl]amino]acetic acid is CNS(=O)(=O)c1ccc(CCC(=O)N(CC(=O)O)CC(C)C)cc1.
What is the InChIKey of 2-[2-methylpropyl-[3-[4-(methylsulfamoyl)phenyl]propanoyl]amino]acetic acid?
The InChIKey is AEXGZJHPAOMWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-12(2)10-18(11-16(20)21)15(19)9-6-13-4-7-14(8-5-13)24(22,23)17-3/h4-5,7-8,12,17H,6,9-11H2,1-3H3,(H,20,21).
What are the key properties of 2-[2-methylpropyl-[3-[4-(methylsulfamoyl)phenyl]propanoyl]amino]acetic acid?
2-[2-methylpropyl-[3-[4-(methylsulfamoyl)phenyl]propanoyl]amino]acetic acid has a molecular weight of 356.44 g/mol, XLogP of 1.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-[3-[4-(methylsulfamoyl)phenyl]propanoyl]amino]acetic acid is sourced from PubChem (CID 119192719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).