(2E)-2-methoxyimino-N-[6-oxo-6-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]hexyl]sulfonylacetamide

C20H31N5O7S — CID 167867328

IUPAC(2E)-2-methoxyimino-N-[6-oxo-6-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]hexyl]sulfonylacetamide
SMILESCO/N=C/C(=O)NS(=O)(=O)CCCCCC(=O)N1CCCCC1c1nnc([C@H]2CCCO2)o1
InChIInChI=1S/C20H31N5O7S/c1-30-21-14-17(26)24-33(28,29)13-6-2-3-10-18(27)25-11-5-4-8-15(25)19-22-23-20(32-19)16-9-7-12-31-16/h14-16H,2-13H2,1H3,(H,24,26)/b21-14+/t15?,16-/m1/s1
InChIKeyGYNSMPIVWIUUSC-NNQXBJFGSA-N
MW485.56 g/mol
LogP1.61
Rot. Bonds11

About (2E)-2-methoxyimino-N-[6-oxo-6-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]hexyl]sulfonylacetamide

(2E)-2-methoxyimino-N-[6-oxo-6-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]hexyl]sulfonylacetamide (PubChem CID 167867328) has the molecular formula C20H31N5O7S and a molecular weight of 485.56 g/mol. Its IUPAC name is (2E)-2-methoxyimino-N-[6-oxo-6-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]hexyl]sulfonylacetamide.

Molecular Properties

Compound Name(2E)-2-methoxyimino-N-[6-oxo-6-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]hexyl]sulfonylacetamide
PubChem CID167867328
Molecular FormulaC20H31N5O7S
Molecular Weight485.56 g/mol
Exact Mass485.19
IUPAC Name(2E)-2-methoxyimino-N-[6-oxo-6-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]hexyl]sulfonylacetamide
SMILESCO/N=C/C(=O)NS(=O)(=O)CCCCCC(=O)N1CCCCC1c1nnc([C@H]2CCCO2)o1
InChIInChI=1S/C20H31N5O7S/c1-30-21-14-17(26)24-33(28,29)13-6-2-3-10-18(27)25-11-5-4-8-15(25)19-22-23-20(32-19)16-9-7-12-31-16/h14-16H,2-13H2,1H3,(H,24,26)/b21-14+/t15?,16-/m1/s1
InChIKeyGYNSMPIVWIUUSC-NNQXBJFGSA-N
XLogP1.61
TPSA153.29 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (2E)-2-methoxyimino-N-[6-oxo-6-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]hexyl]sulfonylacetamide?
The IUPAC name of (2E)-2-methoxyimino-N-[6-oxo-6-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]hexyl]sulfonylacetamide (CID 167867328) is (2E)-2-methoxyimino-N-[6-oxo-6-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]hexyl]sulfonylacetamide.
What is the SMILES notation for (2E)-2-methoxyimino-N-[6-oxo-6-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]hexyl]sulfonylacetamide?
The canonical SMILES for (2E)-2-methoxyimino-N-[6-oxo-6-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]hexyl]sulfonylacetamide is CO/N=C/C(=O)NS(=O)(=O)CCCCCC(=O)N1CCCCC1c1nnc([C@H]2CCCO2)o1.
What is the InChIKey of (2E)-2-methoxyimino-N-[6-oxo-6-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]hexyl]sulfonylacetamide?
The InChIKey is GYNSMPIVWIUUSC-NNQXBJFGSA-N. The full InChI is InChI=1S/C20H31N5O7S/c1-30-21-14-17(26)24-33(28,29)13-6-2-3-10-18(27)25-11-5-4-8-15(25)19-22-23-20(32-19)16-9-7-12-31-16/h14-16H,2-13H2,1H3,(H,24,26)/b21-14+/t15?,16-/m1/s1.
What are the key properties of (2E)-2-methoxyimino-N-[6-oxo-6-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]hexyl]sulfonylacetamide?
(2E)-2-methoxyimino-N-[6-oxo-6-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]hexyl]sulfonylacetamide has a molecular weight of 485.56 g/mol, XLogP of 1.61, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-methoxyimino-N-[6-oxo-6-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]hexyl]sulfonylacetamide is sourced from PubChem (CID 167867328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).