(2S,3R)-N-hydroxy-5-methyl-3-[[2-methylpropyl(methylsulfonyl)amino]carbamoyl]-2-(3-pyrimidin-5-ylprop-2-enyl)hexanamide

C20H33N5O5S — CID 151789335

IUPAC(2S,3R)-N-hydroxy-5-methyl-3-[[2-methylpropyl(methylsulfonyl)amino]carbamoyl]-2-(3-pyrimidin-5-ylprop-2-enyl)hexanamide
SMILESCC(C)C[C@@H](C(=O)NN(CC(C)C)S(C)(=O)=O)[C@H](CC=Cc1cncnc1)C(=O)NO
InChIInChI=1S/C20H33N5O5S/c1-14(2)9-18(19(26)23-25(12-15(3)4)31(5,29)30)17(20(27)24-28)8-6-7-16-10-21-13-22-11-16/h6-7,10-11,13-15,17-18,28H,8-9,12H2,1-5H3,(H,23,26)(H,24,27)/t17-,18+/m0/s1
InChIKeyRWHCCCGERDJLCX-ZWKOTPCHSA-N
MW455.58 g/mol
LogP1.61
Rot. Bonds12

About (2S,3R)-N-hydroxy-5-methyl-3-[[2-methylpropyl(methylsulfonyl)amino]carbamoyl]-2-(3-pyrimidin-5-ylprop-2-enyl)hexanamide

(2S,3R)-N-hydroxy-5-methyl-3-[[2-methylpropyl(methylsulfonyl)amino]carbamoyl]-2-(3-pyrimidin-5-ylprop-2-enyl)hexanamide (PubChem CID 151789335) has the molecular formula C20H33N5O5S and a molecular weight of 455.58 g/mol. Its IUPAC name is (2S,3R)-N-hydroxy-5-methyl-3-[[2-methylpropyl(methylsulfonyl)amino]carbamoyl]-2-(3-pyrimidin-5-ylprop-2-enyl)hexanamide.

Molecular Properties

Compound Name(2S,3R)-N-hydroxy-5-methyl-3-[[2-methylpropyl(methylsulfonyl)amino]carbamoyl]-2-(3-pyrimidin-5-ylprop-2-enyl)hexanamide
PubChem CID151789335
Molecular FormulaC20H33N5O5S
Molecular Weight455.58 g/mol
Exact Mass455.22
IUPAC Name(2S,3R)-N-hydroxy-5-methyl-3-[[2-methylpropyl(methylsulfonyl)amino]carbamoyl]-2-(3-pyrimidin-5-ylprop-2-enyl)hexanamide
SMILESCC(C)C[C@@H](C(=O)NN(CC(C)C)S(C)(=O)=O)[C@H](CC=Cc1cncnc1)C(=O)NO
InChIInChI=1S/C20H33N5O5S/c1-14(2)9-18(19(26)23-25(12-15(3)4)31(5,29)30)17(20(27)24-28)8-6-7-16-10-21-13-22-11-16/h6-7,10-11,13-15,17-18,28H,8-9,12H2,1-5H3,(H,23,26)(H,24,27)/t17-,18+/m0/s1
InChIKeyRWHCCCGERDJLCX-ZWKOTPCHSA-N
XLogP1.61
TPSA141.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 51.61
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

N-hydroxy-2-[4-methyl-1-[2-(2-methylpropyl)-2-methylsulfonylhydrazinyl]-1-oxopentan-2-yl]-6-phenylhex-4-enamide
CID 74012259
(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)-3-[[(1-aminocyclopentanecarbonyl)-(2-methylpropyl)amino]carbamoyl]-N-hydroxy-5-methyl-2-(3-phenylprop-2-enyl)hexanamide
CID 173233112
(2S,3R)-N-hydroxy-5-methyl-3-[[2-methylpropyl-[(2R)-2-phenylmethoxypropanoyl]amino]carbamoyl]-2-(3-phenylprop-2-enyl)hexanamide
CID 173233385
(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
(2R)-3-[[benzyl(methylsulfonyl)amino]carbamoyl]-5-methyl-N-[(2S)-oxan-2-yl]oxy-2-(3-phenylprop-2-enyl)hexanamide
CID 54489304
(E,2R)-N-methyl-5-pyrimidin-5-ylpent-4-en-2-amine
CID 10329870

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-hydroxy-5-methyl-3-[[2-methylpropyl(methylsulfonyl)amino]carbamoyl]-2-(3-pyrimidin-5-ylprop-2-enyl)hexanamide?
The IUPAC name of (2S,3R)-N-hydroxy-5-methyl-3-[[2-methylpropyl(methylsulfonyl)amino]carbamoyl]-2-(3-pyrimidin-5-ylprop-2-enyl)hexanamide (CID 151789335) is (2S,3R)-N-hydroxy-5-methyl-3-[[2-methylpropyl(methylsulfonyl)amino]carbamoyl]-2-(3-pyrimidin-5-ylprop-2-enyl)hexanamide.
What is the SMILES notation for (2S,3R)-N-hydroxy-5-methyl-3-[[2-methylpropyl(methylsulfonyl)amino]carbamoyl]-2-(3-pyrimidin-5-ylprop-2-enyl)hexanamide?
The canonical SMILES for (2S,3R)-N-hydroxy-5-methyl-3-[[2-methylpropyl(methylsulfonyl)amino]carbamoyl]-2-(3-pyrimidin-5-ylprop-2-enyl)hexanamide is CC(C)C[C@@H](C(=O)NN(CC(C)C)S(C)(=O)=O)[C@H](CC=Cc1cncnc1)C(=O)NO.
What is the InChIKey of (2S,3R)-N-hydroxy-5-methyl-3-[[2-methylpropyl(methylsulfonyl)amino]carbamoyl]-2-(3-pyrimidin-5-ylprop-2-enyl)hexanamide?
The InChIKey is RWHCCCGERDJLCX-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H33N5O5S/c1-14(2)9-18(19(26)23-25(12-15(3)4)31(5,29)30)17(20(27)24-28)8-6-7-16-10-21-13-22-11-16/h6-7,10-11,13-15,17-18,28H,8-9,12H2,1-5H3,(H,23,26)(H,24,27)/t17-,18+/m0/s1.
What are the key properties of (2S,3R)-N-hydroxy-5-methyl-3-[[2-methylpropyl(methylsulfonyl)amino]carbamoyl]-2-(3-pyrimidin-5-ylprop-2-enyl)hexanamide?
(2S,3R)-N-hydroxy-5-methyl-3-[[2-methylpropyl(methylsulfonyl)amino]carbamoyl]-2-(3-pyrimidin-5-ylprop-2-enyl)hexanamide has a molecular weight of 455.58 g/mol, XLogP of 1.61, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-hydroxy-5-methyl-3-[[2-methylpropyl(methylsulfonyl)amino]carbamoyl]-2-(3-pyrimidin-5-ylprop-2-enyl)hexanamide is sourced from PubChem (CID 151789335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).