(2E)-2-methoxyimino-N-[2-[2-[[(2E)-2-methoxyimino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide

C24H30N4O4S2 — CID 134834062

IUPAC(2E)-2-methoxyimino-N-[2-[2-[[(2E)-2-methoxyimino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide
SMILESCO/N=C(\Cc1ccccc1)C(=O)NCCSSCCNC(=O)/C(Cc1ccccc1)=N/OC
InChIInChI=1S/C24H30N4O4S2/c1-31-27-21(17-19-9-5-3-6-10-19)23(29)25-13-15-33-34-16-14-26-24(30)22(28-32-2)18-20-11-7-4-8-12-20/h3-12H,13-18H2,1-2H3,(H,25,29)(H,26,30)/b27-21+,28-22+
InChIKeyLFFPUEOMLVPOBL-GPAWKIAZSA-N
MW502.66 g/mol
LogP3.09
Rot. Bonds15

About (2E)-2-methoxyimino-N-[2-[2-[[(2E)-2-methoxyimino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide

(2E)-2-methoxyimino-N-[2-[2-[[(2E)-2-methoxyimino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide (PubChem CID 134834062) has the molecular formula C24H30N4O4S2 and a molecular weight of 502.66 g/mol. Its IUPAC name is (2E)-2-methoxyimino-N-[2-[2-[[(2E)-2-methoxyimino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2E)-2-methoxyimino-N-[2-[2-[[(2E)-2-methoxyimino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide
PubChem CID134834062
Molecular FormulaC24H30N4O4S2
Molecular Weight502.66 g/mol
Exact Mass502.17
IUPAC Name(2E)-2-methoxyimino-N-[2-[2-[[(2E)-2-methoxyimino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide
SMILESCO/N=C(\Cc1ccccc1)C(=O)NCCSSCCNC(=O)/C(Cc1ccccc1)=N/OC
InChIInChI=1S/C24H30N4O4S2/c1-31-27-21(17-19-9-5-3-6-10-19)23(29)25-13-15-33-34-16-14-26-24(30)22(28-32-2)18-20-11-7-4-8-12-20/h3-12H,13-18H2,1-2H3,(H,25,29)(H,26,30)/b27-21+,28-22+
InChIKeyLFFPUEOMLVPOBL-GPAWKIAZSA-N
XLogP3.09
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.66
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', '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-[2-[2-[[(2E)-2-methoxyimino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide?
The IUPAC name of (2E)-2-methoxyimino-N-[2-[2-[[(2E)-2-methoxyimino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide (CID 134834062) is (2E)-2-methoxyimino-N-[2-[2-[[(2E)-2-methoxyimino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide.
What is the SMILES notation for (2E)-2-methoxyimino-N-[2-[2-[[(2E)-2-methoxyimino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide?
The canonical SMILES for (2E)-2-methoxyimino-N-[2-[2-[[(2E)-2-methoxyimino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide is CO/N=C(\Cc1ccccc1)C(=O)NCCSSCCNC(=O)/C(Cc1ccccc1)=N/OC.
What is the InChIKey of (2E)-2-methoxyimino-N-[2-[2-[[(2E)-2-methoxyimino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide?
The InChIKey is LFFPUEOMLVPOBL-GPAWKIAZSA-N. The full InChI is InChI=1S/C24H30N4O4S2/c1-31-27-21(17-19-9-5-3-6-10-19)23(29)25-13-15-33-34-16-14-26-24(30)22(28-32-2)18-20-11-7-4-8-12-20/h3-12H,13-18H2,1-2H3,(H,25,29)(H,26,30)/b27-21+,28-22+.
What are the key properties of (2E)-2-methoxyimino-N-[2-[2-[[(2E)-2-methoxyimino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide?
(2E)-2-methoxyimino-N-[2-[2-[[(2E)-2-methoxyimino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide has a molecular weight of 502.66 g/mol, XLogP of 3.09, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-methoxyimino-N-[2-[2-[[(2E)-2-methoxyimino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 134834062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).