3-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid

C17H15NO5S — CID 154782457

IUPAC3-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid
SMILESO=C(O)CC(NS(=O)(=O)c1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C17H15NO5S/c19-16(20)11-14(12-6-2-1-3-7-12)18-24(21,22)17-10-13-8-4-5-9-15(13)23-17/h1-10,14,18H,11H2,(H,19,20)
InChIKeyIPIDTYVPGFMFSY-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.93
Rot. Bonds6

About 3-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid

3-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid (PubChem CID 154782457) has the molecular formula C17H15NO5S and a molecular weight of 345.38 g/mol. Its IUPAC name is 3-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid
PubChem CID154782457
Molecular FormulaC17H15NO5S
Molecular Weight345.38 g/mol
Exact Mass345.07
IUPAC Name3-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid
SMILESO=C(O)CC(NS(=O)(=O)c1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C17H15NO5S/c19-16(20)11-14(12-6-2-1-3-7-12)18-24(21,22)17-10-13-8-4-5-9-15(13)23-17/h1-10,14,18H,11H2,(H,19,20)
InChIKeyIPIDTYVPGFMFSY-UHFFFAOYSA-N
XLogP2.93
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid
CID 154780512
2-(1-benzofuran-2-ylsulfonylamino)-2-cyclopropylacetic acid
CID 136533044
3-phenyl-3-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid
CID 23002624
3-acetamido-3-(1-benzofuran-2-yl)propanoic acid
CID 63897695
(3R)-3-acetamido-3-(1-benzofuran-2-yl)propanoic acid
CID 78953838
(3R)-3-[(2-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 726567
3-(methylsulfonylmethylsulfonylamino)-3-phenylpropanoic acid
CID 82839464
2-[[2-(1-benzofuran-2-ylsulfonylamino)phenyl]sulfanylmethyl]benzoic acid
CID 71714796
3-phenyl-3-(1H-pyrrol-3-ylsulfonylamino)propanoic acid
CID 43294270
3-(furan-2-ylsulfonylamino)-3-(4-methoxyphenyl)propanoic acid
CID 154839721
3-[(2-methylpyrazol-3-yl)sulfonylamino]-3-phenylpropanoic acid
CID 104709491
3-(benzenesulfonamido)-3-(4-propan-2-ylphenyl)propanoic acid
CID 5188493

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid?
The IUPAC name of 3-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid (CID 154782457) is 3-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid.
What is the SMILES notation for 3-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid?
The canonical SMILES for 3-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid is O=C(O)CC(NS(=O)(=O)c1cc2ccccc2o1)c1ccccc1.
What is the InChIKey of 3-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid?
The InChIKey is IPIDTYVPGFMFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5S/c19-16(20)11-14(12-6-2-1-3-7-12)18-24(21,22)17-10-13-8-4-5-9-15(13)23-17/h1-10,14,18H,11H2,(H,19,20).
What are the key properties of 3-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid?
3-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid has a molecular weight of 345.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 154782457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).