3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid

C19H23NO4S — CID 3308469

IUPAC3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid
SMILESCc1cc(C)c(C)c(S(=O)(=O)NC(Cc2ccccc2)C(=O)O)c1C
InChIInChI=1S/C19H23NO4S/c1-12-10-13(2)15(4)18(14(12)3)25(23,24)20-17(19(21)22)11-16-8-6-5-7-9-16/h5-10,17,20H,11H2,1-4H3,(H,21,22)
InChIKeySTQXOMYIGNWPDF-UHFFFAOYSA-N
MW361.46 g/mol
LogP2.89
Rot. Bonds6

About 3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid

3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid (PubChem CID 3308469) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid
PubChem CID3308469
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid
SMILESCc1cc(C)c(C)c(S(=O)(=O)NC(Cc2ccccc2)C(=O)O)c1C
InChIInChI=1S/C19H23NO4S/c1-12-10-13(2)15(4)18(14(12)3)25(23,24)20-17(19(21)22)11-16-8-6-5-7-9-16/h5-10,17,20H,11H2,1-4H3,(H,21,22)
InChIKeySTQXOMYIGNWPDF-UHFFFAOYSA-N
XLogP2.89
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid?
The IUPAC name of 3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid (CID 3308469) is 3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid is Cc1cc(C)c(C)c(S(=O)(=O)NC(Cc2ccccc2)C(=O)O)c1C.
What is the InChIKey of 3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid?
The InChIKey is STQXOMYIGNWPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-12-10-13(2)15(4)18(14(12)3)25(23,24)20-17(19(21)22)11-16-8-6-5-7-9-16/h5-10,17,20H,11H2,1-4H3,(H,21,22).
What are the key properties of 3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid?
3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid has a molecular weight of 361.46 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 3308469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).