5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(4-methylphenyl)sulfonyl-1,2,4-oxadiazole-3-carboxamide

C22H30N4O6S — CID 10205950

IUPAC5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(4-methylphenyl)sulfonyl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)cc1
InChIInChI=1S/C22H30N4O6S/c1-15-10-12-18(13-11-15)33(30,31)26-21(28)20-23-22(32-25-20)17(14-19(27)24-29)9-5-8-16-6-3-2-4-7-16/h10-13,16-17,29H,2-9,14H2,1H3,(H,24,27)(H,26,28)/t17-/m1/s1
InChIKeyWIWZOZNZTCSMEA-QGZVFWFLSA-N
MW478.57 g/mol
LogP3.23
Rot. Bonds10

About 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(4-methylphenyl)sulfonyl-1,2,4-oxadiazole-3-carboxamide

5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(4-methylphenyl)sulfonyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 10205950) has the molecular formula C22H30N4O6S and a molecular weight of 478.57 g/mol. Its IUPAC name is 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(4-methylphenyl)sulfonyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(4-methylphenyl)sulfonyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID10205950
Molecular FormulaC22H30N4O6S
Molecular Weight478.57 g/mol
Exact Mass478.19
IUPAC Name5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(4-methylphenyl)sulfonyl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)cc1
InChIInChI=1S/C22H30N4O6S/c1-15-10-12-18(13-11-15)33(30,31)26-21(28)20-23-22(32-25-20)17(14-19(27)24-29)9-5-8-16-6-3-2-4-7-16/h10-13,16-17,29H,2-9,14H2,1H3,(H,24,27)(H,26,28)/t17-/m1/s1
InChIKeyWIWZOZNZTCSMEA-QGZVFWFLSA-N
XLogP3.23
TPSA151.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(4-methylphenyl)sulfonyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(4-methylphenyl)sulfonyl-1,2,4-oxadiazole-3-carboxamide (CID 10205950) is 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(4-methylphenyl)sulfonyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(4-methylphenyl)sulfonyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(4-methylphenyl)sulfonyl-1,2,4-oxadiazole-3-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)cc1.
What is the InChIKey of 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(4-methylphenyl)sulfonyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is WIWZOZNZTCSMEA-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H30N4O6S/c1-15-10-12-18(13-11-15)33(30,31)26-21(28)20-23-22(32-25-20)17(14-19(27)24-29)9-5-8-16-6-3-2-4-7-16/h10-13,16-17,29H,2-9,14H2,1H3,(H,24,27)(H,26,28)/t17-/m1/s1.
What are the key properties of 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(4-methylphenyl)sulfonyl-1,2,4-oxadiazole-3-carboxamide?
5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(4-methylphenyl)sulfonyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 3.23, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(4-methylphenyl)sulfonyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 10205950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).