2-[(4-benzoylphenyl)sulfonylmethyl]-N-hydroxy-5-phenylpentanamide

C25H25NO5S — CID 10389113

IUPAC2-[(4-benzoylphenyl)sulfonylmethyl]-N-hydroxy-5-phenylpentanamide
SMILESO=C(c1ccccc1)c1ccc(S(=O)(=O)CC(CCCc2ccccc2)C(=O)NO)cc1
InChIInChI=1S/C25H25NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,29H,7,10,13,18H2,(H,26,28)
InChIKeySYAAEFMNVNGONW-UHFFFAOYSA-N
MW451.54 g/mol
LogP3.84
Rot. Bonds10

About 2-[(4-benzoylphenyl)sulfonylmethyl]-N-hydroxy-5-phenylpentanamide

2-[(4-benzoylphenyl)sulfonylmethyl]-N-hydroxy-5-phenylpentanamide (PubChem CID 10389113) has the molecular formula C25H25NO5S and a molecular weight of 451.54 g/mol. Its IUPAC name is 2-[(4-benzoylphenyl)sulfonylmethyl]-N-hydroxy-5-phenylpentanamide.

Molecular Properties

Compound Name2-[(4-benzoylphenyl)sulfonylmethyl]-N-hydroxy-5-phenylpentanamide
PubChem CID10389113
Molecular FormulaC25H25NO5S
Molecular Weight451.54 g/mol
Exact Mass451.15
IUPAC Name2-[(4-benzoylphenyl)sulfonylmethyl]-N-hydroxy-5-phenylpentanamide
SMILESO=C(c1ccccc1)c1ccc(S(=O)(=O)CC(CCCc2ccccc2)C(=O)NO)cc1
InChIInChI=1S/C25H25NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,29H,7,10,13,18H2,(H,26,28)
InChIKeySYAAEFMNVNGONW-UHFFFAOYSA-N
XLogP3.84
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzoylphenyl)sulfonylmethyl]-N-hydroxy-5-phenylpentanamide?
The IUPAC name of 2-[(4-benzoylphenyl)sulfonylmethyl]-N-hydroxy-5-phenylpentanamide (CID 10389113) is 2-[(4-benzoylphenyl)sulfonylmethyl]-N-hydroxy-5-phenylpentanamide.
What is the SMILES notation for 2-[(4-benzoylphenyl)sulfonylmethyl]-N-hydroxy-5-phenylpentanamide?
The canonical SMILES for 2-[(4-benzoylphenyl)sulfonylmethyl]-N-hydroxy-5-phenylpentanamide is O=C(c1ccccc1)c1ccc(S(=O)(=O)CC(CCCc2ccccc2)C(=O)NO)cc1.
What is the InChIKey of 2-[(4-benzoylphenyl)sulfonylmethyl]-N-hydroxy-5-phenylpentanamide?
The InChIKey is SYAAEFMNVNGONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,29H,7,10,13,18H2,(H,26,28).
What are the key properties of 2-[(4-benzoylphenyl)sulfonylmethyl]-N-hydroxy-5-phenylpentanamide?
2-[(4-benzoylphenyl)sulfonylmethyl]-N-hydroxy-5-phenylpentanamide has a molecular weight of 451.54 g/mol, XLogP of 3.84, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzoylphenyl)sulfonylmethyl]-N-hydroxy-5-phenylpentanamide is sourced from PubChem (CID 10389113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).