2-oxo-3-[4-[[2-oxo-3-(4-phenylphenyl)propanoyl]amino]phenyl]-1-phenylpropane-1-sulfonic acid

C30H25NO6S — CID 153093510

IUPAC2-oxo-3-[4-[[2-oxo-3-(4-phenylphenyl)propanoyl]amino]phenyl]-1-phenylpropane-1-sulfonic acid
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(CC(=O)C(c2ccccc2)S(=O)(=O)O)cc1
InChIInChI=1S/C30H25NO6S/c32-27(29(38(35,36)37)25-9-5-2-6-10-25)19-22-13-17-26(18-14-22)31-30(34)28(33)20-21-11-15-24(16-12-21)23-7-3-1-4-8-23/h1-18,29H,19-20H2,(H,31,34)(H,35,36,37)
InChIKeyVPQBWNKEOWGJQY-UHFFFAOYSA-N
MW527.60 g/mol
LogP4.84
Rot. Bonds10

About 2-oxo-3-[4-[[2-oxo-3-(4-phenylphenyl)propanoyl]amino]phenyl]-1-phenylpropane-1-sulfonic acid

2-oxo-3-[4-[[2-oxo-3-(4-phenylphenyl)propanoyl]amino]phenyl]-1-phenylpropane-1-sulfonic acid (PubChem CID 153093510) has the molecular formula C30H25NO6S and a molecular weight of 527.60 g/mol. Its IUPAC name is 2-oxo-3-[4-[[2-oxo-3-(4-phenylphenyl)propanoyl]amino]phenyl]-1-phenylpropane-1-sulfonic acid.

Molecular Properties

Compound Name2-oxo-3-[4-[[2-oxo-3-(4-phenylphenyl)propanoyl]amino]phenyl]-1-phenylpropane-1-sulfonic acid
PubChem CID153093510
Molecular FormulaC30H25NO6S
Molecular Weight527.60 g/mol
Exact Mass527.14
IUPAC Name2-oxo-3-[4-[[2-oxo-3-(4-phenylphenyl)propanoyl]amino]phenyl]-1-phenylpropane-1-sulfonic acid
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(CC(=O)C(c2ccccc2)S(=O)(=O)O)cc1
InChIInChI=1S/C30H25NO6S/c32-27(29(38(35,36)37)25-9-5-2-6-10-25)19-22-13-17-26(18-14-22)31-30(34)28(33)20-21-11-15-24(16-12-21)23-7-3-1-4-8-23/h1-18,29H,19-20H2,(H,31,34)(H,35,36,37)
InChIKeyVPQBWNKEOWGJQY-UHFFFAOYSA-N
XLogP4.84
TPSA117.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.60
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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N-(4-hydroxyphenyl)-2-(4-phenylphenyl)acetamide
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N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-phenylphenyl)acetamide
CID 100515533
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-phenylphenyl)acetate
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2-methyl-3-[4-[(2-propan-2-ylsulfonylbenzoyl)amino]phenyl]propanoic acid
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[4-[[2-(4-phenylphenyl)acetyl]amino]phenyl]boronic acid
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2-[2-(2-oxo-3-phenyl-3-sulfopropyl)-1,3-thiazol-4-yl]acetic acid
CID 160979569
N-[4-(cyanomethyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 26374350
1-benzhydryl-3-(4-phenylphenyl)urea
CID 108867015
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-4-phenylbenzamide
CID 55610839
N-benzhydryl-N-methyl-2-(4-phenylphenyl)acetamide
CID 2103734

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-[4-[[2-oxo-3-(4-phenylphenyl)propanoyl]amino]phenyl]-1-phenylpropane-1-sulfonic acid?
The IUPAC name of 2-oxo-3-[4-[[2-oxo-3-(4-phenylphenyl)propanoyl]amino]phenyl]-1-phenylpropane-1-sulfonic acid (CID 153093510) is 2-oxo-3-[4-[[2-oxo-3-(4-phenylphenyl)propanoyl]amino]phenyl]-1-phenylpropane-1-sulfonic acid.
What is the SMILES notation for 2-oxo-3-[4-[[2-oxo-3-(4-phenylphenyl)propanoyl]amino]phenyl]-1-phenylpropane-1-sulfonic acid?
The canonical SMILES for 2-oxo-3-[4-[[2-oxo-3-(4-phenylphenyl)propanoyl]amino]phenyl]-1-phenylpropane-1-sulfonic acid is O=C(Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(CC(=O)C(c2ccccc2)S(=O)(=O)O)cc1.
What is the InChIKey of 2-oxo-3-[4-[[2-oxo-3-(4-phenylphenyl)propanoyl]amino]phenyl]-1-phenylpropane-1-sulfonic acid?
The InChIKey is VPQBWNKEOWGJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NO6S/c32-27(29(38(35,36)37)25-9-5-2-6-10-25)19-22-13-17-26(18-14-22)31-30(34)28(33)20-21-11-15-24(16-12-21)23-7-3-1-4-8-23/h1-18,29H,19-20H2,(H,31,34)(H,35,36,37).
What are the key properties of 2-oxo-3-[4-[[2-oxo-3-(4-phenylphenyl)propanoyl]amino]phenyl]-1-phenylpropane-1-sulfonic acid?
2-oxo-3-[4-[[2-oxo-3-(4-phenylphenyl)propanoyl]amino]phenyl]-1-phenylpropane-1-sulfonic acid has a molecular weight of 527.60 g/mol, XLogP of 4.84, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-[4-[[2-oxo-3-(4-phenylphenyl)propanoyl]amino]phenyl]-1-phenylpropane-1-sulfonic acid is sourced from PubChem (CID 153093510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).