N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]-1-pyridinyl]butanamide

C25H27N3O6S — CID 167458926

IUPACN-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]-1-pyridinyl]butanamide
SMILESCC(CCn1ccc(-c2ccc(NC(=O)Cc3ccccc3)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C25H27N3O6S/c1-25(24(31)27-32,35(2,33)34)13-15-28-14-12-20(17-23(28)30)19-8-10-21(11-9-19)26-22(29)16-18-6-4-3-5-7-18/h3-12,14,17,32H,13,15-16H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyLCZKHPGDNLUJLU-UHFFFAOYSA-N
MW497.57 g/mol
LogP2.40
Rot. Bonds9

About N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]-1-pyridinyl]butanamide

N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]-1-pyridinyl]butanamide (PubChem CID 167458926) has the molecular formula C25H27N3O6S and a molecular weight of 497.57 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]-1-pyridinyl]butanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]-1-pyridinyl]butanamide
PubChem CID167458926
Molecular FormulaC25H27N3O6S
Molecular Weight497.57 g/mol
Exact Mass497.16
IUPAC NameN-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]-1-pyridinyl]butanamide
SMILESCC(CCn1ccc(-c2ccc(NC(=O)Cc3ccccc3)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C25H27N3O6S/c1-25(24(31)27-32,35(2,33)34)13-15-28-14-12-20(17-23(28)30)19-8-10-21(11-9-19)26-22(29)16-18-6-4-3-5-7-18/h3-12,14,17,32H,13,15-16H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyLCZKHPGDNLUJLU-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
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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Related Compounds

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N-{4-[(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)methyl]phenyl}benzamide
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N-{4-[(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)methyl]phenyl}-4-fluorobenzamide
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N-[4-[[cyclohexylmethyl(propyl)amino]methyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738524
N-[4-[[benzyl(methyl)amino]methyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738558
N-[4-[[benzyl(butyl)amino]methyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738574
2-(4-ethylsulfonylphenyl)-N-[4-[2-(N-propylanilino)ethyl]phenyl]acetamide
CID 141738579
N-[4-[[benzyl(ethyl)amino]methyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738586
N-[4-[[benzyl(propyl)amino]methyl]phenyl]-2-(4-methylsulfonylphenyl)acetamide
CID 141738603
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-morpholin-4-ylphenyl)phenyl]butanamide
CID 51355582

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]-1-pyridinyl]butanamide?
The IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]-1-pyridinyl]butanamide (CID 167458926) is N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]-1-pyridinyl]butanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]-1-pyridinyl]butanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]-1-pyridinyl]butanamide is CC(CCn1ccc(-c2ccc(NC(=O)Cc3ccccc3)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]-1-pyridinyl]butanamide?
The InChIKey is LCZKHPGDNLUJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6S/c1-25(24(31)27-32,35(2,33)34)13-15-28-14-12-20(17-23(28)30)19-8-10-21(11-9-19)26-22(29)16-18-6-4-3-5-7-18/h3-12,14,17,32H,13,15-16H2,1-2H3,(H,26,29)(H,27,31).
What are the key properties of N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]-1-pyridinyl]butanamide?
N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]-1-pyridinyl]butanamide has a molecular weight of 497.57 g/mol, XLogP of 2.40, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]-1-pyridinyl]butanamide is sourced from PubChem (CID 167458926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).