(3R)-6-cyclohexyl-N-hydroxy-3-[3-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide

C18H32N4O5S — CID 10112623

IUPAC(3R)-6-cyclohexyl-N-hydroxy-3-[3-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide
SMILESCC(C)S(=O)(=O)NCc1noc(C(CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C18H32N4O5S/c1-13(2)28(25,26)19-12-16-20-18(27-22-16)15(11-17(23)21-24)10-6-9-14-7-4-3-5-8-14/h13-15,19,24H,3-12H2,1-2H3,(H,21,23)
InChIKeyVBKCQLLINZTLKE-UHFFFAOYSA-N
MW416.54 g/mol
LogP2.63
Rot. Bonds11

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

(3R)-6-cyclohexyl-N-hydroxy-3-[3-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide (PubChem CID 10112623) has the molecular formula C18H32N4O5S and a molecular weight of 416.54 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-N-hydroxy-3-[3-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide.

Molecular Properties

Compound Name(3R)-6-cyclohexyl-N-hydroxy-3-[3-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide
PubChem CID10112623
Molecular FormulaC18H32N4O5S
Molecular Weight416.54 g/mol
Exact Mass416.21
IUPAC Name(3R)-6-cyclohexyl-N-hydroxy-3-[3-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide
SMILESCC(C)S(=O)(=O)NCc1noc(C(CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C18H32N4O5S/c1-13(2)28(25,26)19-12-16-20-18(27-22-16)15(11-17(23)21-24)10-6-9-14-7-4-3-5-8-14/h13-15,19,24H,3-12H2,1-2H3,(H,21,23)
InChIKeyVBKCQLLINZTLKE-UHFFFAOYSA-N
XLogP2.63
TPSA134.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 52.63
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-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide?
The IUPAC name of (3R)-6-cyclohexyl-N-hydroxy-3-[3-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide (CID 10112623) is (3R)-6-cyclohexyl-N-hydroxy-3-[3-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide.
What is the SMILES notation for (3R)-6-cyclohexyl-N-hydroxy-3-[3-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide?
The canonical SMILES for (3R)-6-cyclohexyl-N-hydroxy-3-[3-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide is CC(C)S(=O)(=O)NCc1noc(C(CCCC2CCCCC2)CC(=O)NO)n1.
What is the InChIKey of (3R)-6-cyclohexyl-N-hydroxy-3-[3-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide?
The InChIKey is VBKCQLLINZTLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O5S/c1-13(2)28(25,26)19-12-16-20-18(27-22-16)15(11-17(23)21-24)10-6-9-14-7-4-3-5-8-14/h13-15,19,24H,3-12H2,1-2H3,(H,21,23).
What are the key properties of (3R)-6-cyclohexyl-N-hydroxy-3-[3-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide?
(3R)-6-cyclohexyl-N-hydroxy-3-[3-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide has a molecular weight of 416.54 g/mol, XLogP of 2.63, 11 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-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide is sourced from PubChem (CID 10112623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).