N-hydroxy-2-[4-methyl-1-[2-(2-methylpropyl)-2-methylsulfonylhydrazinyl]-1-oxopentan-2-yl]-6-phenylhex-4-enamide

C23H37N3O5S — CID 74012259

IUPACN-hydroxy-2-[4-methyl-1-[2-(2-methylpropyl)-2-methylsulfonylhydrazinyl]-1-oxopentan-2-yl]-6-phenylhex-4-enamide
SMILESCC(C)CC(C(=O)NN(CC(C)C)S(C)(=O)=O)C(CC=CCc1ccccc1)C(=O)NO
InChIInChI=1S/C23H37N3O5S/c1-17(2)15-21(22(27)24-26(16-18(3)4)32(5,30)31)20(23(28)25-29)14-10-9-13-19-11-7-6-8-12-19/h6-12,17-18,20-21,29H,13-16H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyHVKCMVUKKVQBMK-UHFFFAOYSA-N
MW467.63 g/mol
LogP2.91
Rot. Bonds13

About N-hydroxy-2-[4-methyl-1-[2-(2-methylpropyl)-2-methylsulfonylhydrazinyl]-1-oxopentan-2-yl]-6-phenylhex-4-enamide

N-hydroxy-2-[4-methyl-1-[2-(2-methylpropyl)-2-methylsulfonylhydrazinyl]-1-oxopentan-2-yl]-6-phenylhex-4-enamide (PubChem CID 74012259) has the molecular formula C23H37N3O5S and a molecular weight of 467.63 g/mol. Its IUPAC name is N-hydroxy-2-[4-methyl-1-[2-(2-methylpropyl)-2-methylsulfonylhydrazinyl]-1-oxopentan-2-yl]-6-phenylhex-4-enamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-methyl-1-[2-(2-methylpropyl)-2-methylsulfonylhydrazinyl]-1-oxopentan-2-yl]-6-phenylhex-4-enamide
PubChem CID74012259
Molecular FormulaC23H37N3O5S
Molecular Weight467.63 g/mol
Exact Mass467.25
IUPAC NameN-hydroxy-2-[4-methyl-1-[2-(2-methylpropyl)-2-methylsulfonylhydrazinyl]-1-oxopentan-2-yl]-6-phenylhex-4-enamide
SMILESCC(C)CC(C(=O)NN(CC(C)C)S(C)(=O)=O)C(CC=CCc1ccccc1)C(=O)NO
InChIInChI=1S/C23H37N3O5S/c1-17(2)15-21(22(27)24-26(16-18(3)4)32(5,30)31)20(23(28)25-29)14-10-9-13-19-11-7-6-8-12-19/h6-12,17-18,20-21,29H,13-16H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyHVKCMVUKKVQBMK-UHFFFAOYSA-N
XLogP2.91
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.63
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-N-hydroxy-5-methyl-3-[[2-methylpropyl(methylsulfonyl)amino]carbamoyl]-2-(3-pyrimidin-5-ylprop-2-enyl)hexanamide
CID 151789335
(2S,3R)-3-[[cyclopropylmethyl(methylsulfonyl)amino]carbamoyl]-N-hydroxy-5-methyl-2-(3-phenylprop-2-enyl)hexanamide
CID 173231639
(2S,3R)-3-[[(2,6-dichlorophenyl)methyl-methylsulfonylamino]carbamoyl]-N-hydroxy-5-methyl-2-(3-phenylprop-2-enyl)hexanamide
CID 173231807
(2S,3R)-3-[[3-(diethylamino)propylsulfonyl-(2-methylpropyl)amino]carbamoyl]-N-hydroxy-5-methyl-2-[(E)-3-phenylprop-2-enyl]hexanamide
CID 86757190
(2S,3R)-3-[[[(2R)-2-aminopropanoyl]-(2-methylpropyl)amino]carbamoyl]-N-hydroxy-5-methyl-2-(3-phenylprop-2-enyl)hexanamide
CID 173232947
(2S,3R)-N-hydroxy-5-methyl-3-[[2-methylpropyl-[(2R)-2-phenylmethoxypropanoyl]amino]carbamoyl]-2-(3-phenylprop-2-enyl)hexanamide
CID 173233385
(2R)-3-[[benzyl(methylsulfonyl)amino]carbamoyl]-5-methyl-N-[(2S)-oxan-2-yl]oxy-2-(3-phenylprop-2-enyl)hexanamide
CID 54489304
(2S,3R)-3-[[(1-aminocyclopentanecarbonyl)-(2-methylpropyl)amino]carbamoyl]-N-hydroxy-5-methyl-2-(3-phenylprop-2-enyl)hexanamide
CID 173233112
(2S,3R)-3-[[[(2R)-2-aminopropanoyl]-[(2S)-2-methylbutyl]amino]carbamoyl]-N-hydroxy-5-methyl-2-(3-phenylprop-2-enyl)hexanamide
CID 173232867
(2S)-2-amino-4-[[[(2R,3S)-3-(hydroxycarbamoyl)-2-(2-methylpropyl)-6-phenylhex-5-enoyl]amino]-(2-methylpropyl)amino]-4-oxobutanoic acid;2,2,2-trifluoroacetic acid
CID 173232992
(2S,3R)-5-methyl-3-[[methylsulfonyl(3-phenylprop-2-enyl)amino]carbamoyl]-N-(oxan-2-yloxy)-2-(3-phenylprop-2-enyl)hexanamide
CID 173231835
tert-butyl (2S,3R)-3-[(N-benzylsulfonylanilino)carbamoyl]-5-methyl-2-[(E)-3-phenylprop-2-enyl]hexanoate
CID 86756728

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-methyl-1-[2-(2-methylpropyl)-2-methylsulfonylhydrazinyl]-1-oxopentan-2-yl]-6-phenylhex-4-enamide?
The IUPAC name of N-hydroxy-2-[4-methyl-1-[2-(2-methylpropyl)-2-methylsulfonylhydrazinyl]-1-oxopentan-2-yl]-6-phenylhex-4-enamide (CID 74012259) is N-hydroxy-2-[4-methyl-1-[2-(2-methylpropyl)-2-methylsulfonylhydrazinyl]-1-oxopentan-2-yl]-6-phenylhex-4-enamide.
What is the SMILES notation for N-hydroxy-2-[4-methyl-1-[2-(2-methylpropyl)-2-methylsulfonylhydrazinyl]-1-oxopentan-2-yl]-6-phenylhex-4-enamide?
The canonical SMILES for N-hydroxy-2-[4-methyl-1-[2-(2-methylpropyl)-2-methylsulfonylhydrazinyl]-1-oxopentan-2-yl]-6-phenylhex-4-enamide is CC(C)CC(C(=O)NN(CC(C)C)S(C)(=O)=O)C(CC=CCc1ccccc1)C(=O)NO.
What is the InChIKey of N-hydroxy-2-[4-methyl-1-[2-(2-methylpropyl)-2-methylsulfonylhydrazinyl]-1-oxopentan-2-yl]-6-phenylhex-4-enamide?
The InChIKey is HVKCMVUKKVQBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O5S/c1-17(2)15-21(22(27)24-26(16-18(3)4)32(5,30)31)20(23(28)25-29)14-10-9-13-19-11-7-6-8-12-19/h6-12,17-18,20-21,29H,13-16H2,1-5H3,(H,24,27)(H,25,28).
What are the key properties of N-hydroxy-2-[4-methyl-1-[2-(2-methylpropyl)-2-methylsulfonylhydrazinyl]-1-oxopentan-2-yl]-6-phenylhex-4-enamide?
N-hydroxy-2-[4-methyl-1-[2-(2-methylpropyl)-2-methylsulfonylhydrazinyl]-1-oxopentan-2-yl]-6-phenylhex-4-enamide has a molecular weight of 467.63 g/mol, XLogP of 2.91, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-methyl-1-[2-(2-methylpropyl)-2-methylsulfonylhydrazinyl]-1-oxopentan-2-yl]-6-phenylhex-4-enamide is sourced from PubChem (CID 74012259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).