(3R)-6-cyclohexyl-N-hydroxy-3-[3-[4-(methanesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]hexanamide

C21H30N4O5S — CID 16748680

IUPAC(3R)-6-cyclohexyl-N-hydroxy-3-[3-[4-(methanesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]hexanamide
SMILESCS(=O)(=O)Nc1ccc(-c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)cc1
InChIInChI=1S/C21H30N4O5S/c1-31(28,29)25-18-12-10-16(11-13-18)20-22-21(30-24-20)17(14-19(26)23-27)9-5-8-15-6-3-2-4-7-15/h10-13,15,17,25,27H,2-9,14H2,1H3,(H,23,26)/t17-/m1/s1
InChIKeyCSYVKNCZXAFYBA-QGZVFWFLSA-N
MW450.56 g/mol
LogP3.84
Rot. Bonds10

About (3R)-6-cyclohexyl-N-hydroxy-3-[3-[4-(methanesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]hexanamide

(3R)-6-cyclohexyl-N-hydroxy-3-[3-[4-(methanesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]hexanamide (PubChem CID 16748680) has the molecular formula C21H30N4O5S and a molecular weight of 450.56 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-N-hydroxy-3-[3-[4-(methanesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]hexanamide.

Molecular Properties

Compound Name(3R)-6-cyclohexyl-N-hydroxy-3-[3-[4-(methanesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]hexanamide
PubChem CID16748680
Molecular FormulaC21H30N4O5S
Molecular Weight450.56 g/mol
Exact Mass450.19
IUPAC Name(3R)-6-cyclohexyl-N-hydroxy-3-[3-[4-(methanesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]hexanamide
SMILESCS(=O)(=O)Nc1ccc(-c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)cc1
InChIInChI=1S/C21H30N4O5S/c1-31(28,29)25-18-12-10-16(11-13-18)20-22-21(30-24-20)17(14-19(26)23-27)9-5-8-15-6-3-2-4-7-15/h10-13,15,17,25,27H,2-9,14H2,1H3,(H,23,26)/t17-/m1/s1
InChIKeyCSYVKNCZXAFYBA-QGZVFWFLSA-N
XLogP3.84
TPSA134.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.84
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 (3R)-6-cyclohexyl-N-hydroxy-3-[3-[4-(methanesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]hexanamide?
The IUPAC name of (3R)-6-cyclohexyl-N-hydroxy-3-[3-[4-(methanesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]hexanamide (CID 16748680) is (3R)-6-cyclohexyl-N-hydroxy-3-[3-[4-(methanesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]hexanamide.
What is the SMILES notation for (3R)-6-cyclohexyl-N-hydroxy-3-[3-[4-(methanesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]hexanamide?
The canonical SMILES for (3R)-6-cyclohexyl-N-hydroxy-3-[3-[4-(methanesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]hexanamide is CS(=O)(=O)Nc1ccc(-c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)cc1.
What is the InChIKey of (3R)-6-cyclohexyl-N-hydroxy-3-[3-[4-(methanesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]hexanamide?
The InChIKey is CSYVKNCZXAFYBA-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H30N4O5S/c1-31(28,29)25-18-12-10-16(11-13-18)20-22-21(30-24-20)17(14-19(26)23-27)9-5-8-15-6-3-2-4-7-15/h10-13,15,17,25,27H,2-9,14H2,1H3,(H,23,26)/t17-/m1/s1.
What are the key properties of (3R)-6-cyclohexyl-N-hydroxy-3-[3-[4-(methanesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]hexanamide?
(3R)-6-cyclohexyl-N-hydroxy-3-[3-[4-(methanesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]hexanamide has a molecular weight of 450.56 g/mol, XLogP of 3.84, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-cyclohexyl-N-hydroxy-3-[3-[4-(methanesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]hexanamide is sourced from PubChem (CID 16748680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).