3-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylpropanoic acid

C15H22N2O5S — CID 119254729

IUPAC3-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylpropanoic acid
SMILESCCN(CC)S(=O)(=O)CC(=O)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O5S/c1-3-17(4-2)23(21,22)11-14(18)16-10-13(15(19)20)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyIWEOFKUSMHRKHT-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.64
Rot. Bonds9

About 3-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylpropanoic acid

3-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylpropanoic acid (PubChem CID 119254729) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylpropanoic acid
PubChem CID119254729
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name3-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylpropanoic acid
SMILESCCN(CC)S(=O)(=O)CC(=O)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O5S/c1-3-17(4-2)23(21,22)11-14(18)16-10-13(15(19)20)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyIWEOFKUSMHRKHT-UHFFFAOYSA-N
XLogP0.64
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylacetic acid
CID 119372250
2-phenyl-3-(3-phenylbutanoylamino)propanoic acid
CID 119254594
3-(4-methylpentanoylamino)-2-phenylpropanoic acid
CID 62883511
3-[[2-(butan-2-ylamino)acetyl]amino]-2-phenylpropanoic acid
CID 62884693
2-phenyl-3-[(2-propan-2-ylsulfanylacetyl)amino]propanoic acid
CID 62884181
3-(hexanoylamino)-2-phenylpropanoic acid
CID 62883847
3-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
CID 62878150
3-[(2-methylsulfanylacetyl)amino]-2-phenylpropanoic acid
CID 62883515
3-[[2-(3-ethylsulfonylphenyl)acetyl]amino]-2-phenylpropanoic acid
CID 120528871
2-phenyl-3-(sulfamoylamino)propanoic acid
CID 114958853
3-[(3-methyl-3-phenylbutanoyl)amino]-2-phenylpropanoic acid
CID 119255037
3-[[methyl(pentan-3-yl)carbamoyl]amino]-2-phenylpropanoic acid
CID 62877970

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylpropanoic acid (CID 119254729) is 3-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylpropanoic acid is CCN(CC)S(=O)(=O)CC(=O)NCC(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylpropanoic acid?
The InChIKey is IWEOFKUSMHRKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-3-17(4-2)23(21,22)11-14(18)16-10-13(15(19)20)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 3-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylpropanoic acid?
3-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylpropanoic acid has a molecular weight of 342.42 g/mol, XLogP of 0.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylpropanoic acid is sourced from PubChem (CID 119254729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).