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

C17H15NO5S — CID 154780512

IUPAC2-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)NS(=O)(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H15NO5S/c19-17(20)14(10-12-6-2-1-3-7-12)18-24(21,22)16-11-13-8-4-5-9-15(13)23-16/h1-9,11,14,18H,10H2,(H,19,20)
InChIKeyWXKYYEXAFJCVKX-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.41
Rot. Bonds6

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

2-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid (PubChem CID 154780512) has the molecular formula C17H15NO5S and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid
PubChem CID154780512
Molecular FormulaC17H15NO5S
Molecular Weight345.38 g/mol
Exact Mass345.07
IUPAC Name2-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)NS(=O)(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H15NO5S/c19-17(20)14(10-12-6-2-1-3-7-12)18-24(21,22)16-11-13-8-4-5-9-15(13)23-16/h1-9,11,14,18H,10H2,(H,19,20)
InChIKeyWXKYYEXAFJCVKX-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-benzofuran-2-ylsulfonylamino)-2-cyclopropylacetic acid
CID 136533044
3-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid
CID 154782457
(2R)-2-[[4-[4-(1-benzofuran-2-carbonylamino)phenyl]phenyl]sulfonylamino]-3-(4-hydroxyphenyl)propanoic acid
CID 68710480
(2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid
CID 22216410
(2S)-2-[(3-acetamido-2-oxochromen-6-yl)sulfonylamino]-3-phenylpropanoic acid
CID 10410425
(2R)-3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid
CID 1186780
2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 43827519
2-(methylsulfonylmethylsulfonylamino)-3-phenylpropanoic acid
CID 82840375
(2S)-2-(1-benzofuran-2-ylsulfonylamino)-4,4-dimethyl-N-[(2S,3S)-2-methyl-4-oxooxolan-3-yl]pentanamide
CID 91121558
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 1190229
2-(1-hydroxyethylsulfonylamino)-3-phenylpropanoic acid
CID 176961767
3-phenyl-2-(propan-2-ylsulfamoylamino)propanoic acid
CID 85300232

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid?
The IUPAC name of 2-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid (CID 154780512) is 2-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid.
What is the SMILES notation for 2-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid?
The canonical SMILES for 2-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid is O=C(O)C(Cc1ccccc1)NS(=O)(=O)c1cc2ccccc2o1.
What is the InChIKey of 2-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid?
The InChIKey is WXKYYEXAFJCVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5S/c19-17(20)14(10-12-6-2-1-3-7-12)18-24(21,22)16-11-13-8-4-5-9-15(13)23-16/h1-9,11,14,18H,10H2,(H,19,20).
What are the key properties of 2-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid?
2-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid has a molecular weight of 345.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 154780512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).