N-benzyl-4-[1-[4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]-2-oxo-4-pyridinyl]benzamide

C25H27N3O6S — CID 167458918

IUPACN-benzyl-4-[1-[4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]-2-oxo-4-pyridinyl]benzamide
SMILESCC(CCn1ccc(-c2ccc(C(=O)NCc3ccccc3)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C25H27N3O6S/c1-25(24(31)27-32,35(2,33)34)13-15-28-14-12-21(16-22(28)29)19-8-10-20(11-9-19)23(30)26-17-18-6-4-3-5-7-18/h3-12,14,16,32H,13,15,17H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyHQBBNSFMLOWCQV-UHFFFAOYSA-N
MW497.57 g/mol
LogP2.14
Rot. Bonds9

About N-benzyl-4-[1-[4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]-2-oxo-4-pyridinyl]benzamide

N-benzyl-4-[1-[4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]-2-oxo-4-pyridinyl]benzamide (PubChem CID 167458918) has the molecular formula C25H27N3O6S and a molecular weight of 497.57 g/mol. Its IUPAC name is N-benzyl-4-[1-[4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]-2-oxo-4-pyridinyl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[1-[4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]-2-oxo-4-pyridinyl]benzamide
PubChem CID167458918
Molecular FormulaC25H27N3O6S
Molecular Weight497.57 g/mol
Exact Mass497.16
IUPAC NameN-benzyl-4-[1-[4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]-2-oxo-4-pyridinyl]benzamide
SMILESCC(CCn1ccc(-c2ccc(C(=O)NCc3ccccc3)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C25H27N3O6S/c1-25(24(31)27-32,35(2,33)34)13-15-28-14-12-21(16-22(28)29)19-8-10-20(11-9-19)23(30)26-17-18-6-4-3-5-7-18/h3-12,14,16,32H,13,15,17H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyHQBBNSFMLOWCQV-UHFFFAOYSA-N
XLogP2.14
TPSA134.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 N-benzyl-4-[1-[4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]-2-oxo-4-pyridinyl]benzamide?
The IUPAC name of N-benzyl-4-[1-[4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]-2-oxo-4-pyridinyl]benzamide (CID 167458918) is N-benzyl-4-[1-[4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]-2-oxo-4-pyridinyl]benzamide.
What is the SMILES notation for N-benzyl-4-[1-[4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]-2-oxo-4-pyridinyl]benzamide?
The canonical SMILES for N-benzyl-4-[1-[4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]-2-oxo-4-pyridinyl]benzamide is CC(CCn1ccc(-c2ccc(C(=O)NCc3ccccc3)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of N-benzyl-4-[1-[4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]-2-oxo-4-pyridinyl]benzamide?
The InChIKey is HQBBNSFMLOWCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6S/c1-25(24(31)27-32,35(2,33)34)13-15-28-14-12-21(16-22(28)29)19-8-10-20(11-9-19)23(30)26-17-18-6-4-3-5-7-18/h3-12,14,16,32H,13,15,17H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N-benzyl-4-[1-[4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]-2-oxo-4-pyridinyl]benzamide?
N-benzyl-4-[1-[4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]-2-oxo-4-pyridinyl]benzamide has a molecular weight of 497.57 g/mol, XLogP of 2.14, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[1-[4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]-2-oxo-4-pyridinyl]benzamide is sourced from PubChem (CID 167458918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).