(2S)-3-phenyl-2-(2-phenylethenylsulfonylamino)propanoic acid

C17H17NO4S — CID 706131

IUPAC(2S)-3-phenyl-2-(2-phenylethenylsulfonylamino)propanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C17H17NO4S/c19-17(20)16(13-15-9-5-2-6-10-15)18-23(21,22)12-11-14-7-3-1-4-8-14/h1-12,16,18H,13H2,(H,19,20)/t16-/m0/s1
InChIKeyJMSZFEPCPCSQMH-INIZCTEOSA-N
MW331.39 g/mol
LogP2.27
Rot. Bonds7

About (2S)-3-phenyl-2-(2-phenylethenylsulfonylamino)propanoic acid

(2S)-3-phenyl-2-(2-phenylethenylsulfonylamino)propanoic acid (PubChem CID 706131) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is (2S)-3-phenyl-2-(2-phenylethenylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-phenyl-2-(2-phenylethenylsulfonylamino)propanoic acid
PubChem CID706131
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Name(2S)-3-phenyl-2-(2-phenylethenylsulfonylamino)propanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C17H17NO4S/c19-17(20)16(13-15-9-5-2-6-10-15)18-23(21,22)12-11-14-7-3-1-4-8-14/h1-12,16,18H,13H2,(H,19,20)/t16-/m0/s1
InChIKeyJMSZFEPCPCSQMH-INIZCTEOSA-N
XLogP2.27
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
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2-(1-hydroxyethylsulfonylamino)-3-phenylpropanoic acid
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(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
(2S)-2-(benzylsulfonylamino)-3-phenylpropanoic acid;1,3-dichloropropan-2-one
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2-(tert-butylsulfamoylamino)-3-phenylpropanoic acid
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(2R)-2-[[4-[(E)-2-[4-[[(1S)-1-carboxy-2-phenylethyl]carbamoyl]phenyl]ethenyl]benzoyl]amino]-3-phenylpropanoic acid
CID 91827493

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-(2-phenylethenylsulfonylamino)propanoic acid?
The IUPAC name of (2S)-3-phenyl-2-(2-phenylethenylsulfonylamino)propanoic acid (CID 706131) is (2S)-3-phenyl-2-(2-phenylethenylsulfonylamino)propanoic acid.
What is the SMILES notation for (2S)-3-phenyl-2-(2-phenylethenylsulfonylamino)propanoic acid?
The canonical SMILES for (2S)-3-phenyl-2-(2-phenylethenylsulfonylamino)propanoic acid is O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)C=Cc1ccccc1.
What is the InChIKey of (2S)-3-phenyl-2-(2-phenylethenylsulfonylamino)propanoic acid?
The InChIKey is JMSZFEPCPCSQMH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17NO4S/c19-17(20)16(13-15-9-5-2-6-10-15)18-23(21,22)12-11-14-7-3-1-4-8-14/h1-12,16,18H,13H2,(H,19,20)/t16-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-(2-phenylethenylsulfonylamino)propanoic acid?
(2S)-3-phenyl-2-(2-phenylethenylsulfonylamino)propanoic acid has a molecular weight of 331.39 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-(2-phenylethenylsulfonylamino)propanoic acid is sourced from PubChem (CID 706131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).