2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide

C23H24N2O5S — CID 11797374

IUPAC2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)C(Cc2ccccc2)C(=O)NO)cc1
InChIInChI=1S/C23H24N2O5S/c1-30-20-12-14-21(15-13-20)31(28,29)25(17-19-10-6-3-7-11-19)22(23(26)24-27)16-18-8-4-2-5-9-18/h2-15,22,27H,16-17H2,1H3,(H,24,26)
InChIKeyLJXAVTUOWRDMBX-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.00
Rot. Bonds9

About 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide (PubChem CID 11797374) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide
PubChem CID11797374
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)C(Cc2ccccc2)C(=O)NO)cc1
InChIInChI=1S/C23H24N2O5S/c1-30-20-12-14-21(15-13-20)31(28,29)25(17-19-10-6-3-7-11-19)22(23(26)24-27)16-18-8-4-2-5-9-18/h2-15,22,27H,16-17H2,1H3,(H,24,26)
InChIKeyLJXAVTUOWRDMBX-UHFFFAOYSA-N
XLogP3.00
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.00
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-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide?
The IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide (CID 11797374) is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide.
What is the SMILES notation for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide?
The canonical SMILES for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(Cc2ccccc2)C(=O)NO)cc1.
What is the InChIKey of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide?
The InChIKey is LJXAVTUOWRDMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-30-20-12-14-21(15-13-20)31(28,29)25(17-19-10-6-3-7-11-19)22(23(26)24-27)16-18-8-4-2-5-9-18/h2-15,22,27H,16-17H2,1H3,(H,24,26).
What are the key properties of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide?
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide has a molecular weight of 440.52 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 11797374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).