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

C20H26N2O5S — CID 10549329

IUPAC2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)C(CC(C)C)C(=O)NO)cc1
InChIInChI=1S/C20H26N2O5S/c1-15(2)13-19(20(23)21-24)22(14-16-7-5-4-6-8-16)28(25,26)18-11-9-17(27-3)10-12-18/h4-12,15,19,24H,13-14H2,1-3H3,(H,21,23)
InChIKeyVKUYLANQOAKALN-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.81
Rot. Bonds9

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

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide (PubChem CID 10549329) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide
PubChem CID10549329
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)C(CC(C)C)C(=O)NO)cc1
InChIInChI=1S/C20H26N2O5S/c1-15(2)13-19(20(23)21-24)22(14-16-7-5-4-6-8-16)28(25,26)18-11-9-17(27-3)10-12-18/h4-12,15,19,24H,13-14H2,1-3H3,(H,21,23)
InChIKeyVKUYLANQOAKALN-UHFFFAOYSA-N
XLogP2.81
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.81
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-4-methylpentanamide?
The IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide (CID 10549329) is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide.
What is the SMILES notation for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide?
The canonical SMILES for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(CC(C)C)C(=O)NO)cc1.
What is the InChIKey of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide?
The InChIKey is VKUYLANQOAKALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-15(2)13-19(20(23)21-24)22(14-16-7-5-4-6-8-16)28(25,26)18-11-9-17(27-3)10-12-18/h4-12,15,19,24H,13-14H2,1-3H3,(H,21,23).
What are the key properties of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide?
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide has a molecular weight of 406.50 g/mol, XLogP of 2.81, 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-4-methylpentanamide is sourced from PubChem (CID 10549329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).