2-methoxyimino-N-[2-[2-[[2-methoxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide

C26H34N4O6S2 — CID 142722655

IUPAC2-methoxyimino-N-[2-[2-[[2-methoxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCON=C(Cc1ccc(OC)cc1)C(=O)NCCSSCCNC(=O)C(Cc1ccc(OC)cc1)=NOC
InChIInChI=1S/C26H34N4O6S2/c1-33-21-9-5-19(6-10-21)17-23(29-35-3)25(31)27-13-15-37-38-16-14-28-26(32)24(30-36-4)18-20-7-11-22(34-2)12-8-20/h5-12H,13-18H2,1-4H3,(H,27,31)(H,28,32)
InChIKeyZXFNSQGLGLFYPX-UHFFFAOYSA-N
MW562.71 g/mol
LogP3.11
Rot. Bonds17

About 2-methoxyimino-N-[2-[2-[[2-methoxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide

2-methoxyimino-N-[2-[2-[[2-methoxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 142722655) has the molecular formula C26H34N4O6S2 and a molecular weight of 562.71 g/mol. Its IUPAC name is 2-methoxyimino-N-[2-[2-[[2-methoxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-methoxyimino-N-[2-[2-[[2-methoxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide
PubChem CID142722655
Molecular FormulaC26H34N4O6S2
Molecular Weight562.71 g/mol
Exact Mass562.19
IUPAC Name2-methoxyimino-N-[2-[2-[[2-methoxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCON=C(Cc1ccc(OC)cc1)C(=O)NCCSSCCNC(=O)C(Cc1ccc(OC)cc1)=NOC
InChIInChI=1S/C26H34N4O6S2/c1-33-21-9-5-19(6-10-21)17-23(29-35-3)25(31)27-13-15-37-38-16-14-28-26(32)24(30-36-4)18-20-7-11-22(34-2)12-8-20/h5-12H,13-18H2,1-4H3,(H,27,31)(H,28,32)
InChIKeyZXFNSQGLGLFYPX-UHFFFAOYSA-N
XLogP3.11
TPSA119.84 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.71
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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 2-methoxyimino-N-[2-[2-[[2-methoxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of 2-methoxyimino-N-[2-[2-[[2-methoxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide (CID 142722655) is 2-methoxyimino-N-[2-[2-[[2-methoxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 2-methoxyimino-N-[2-[2-[[2-methoxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for 2-methoxyimino-N-[2-[2-[[2-methoxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide is CON=C(Cc1ccc(OC)cc1)C(=O)NCCSSCCNC(=O)C(Cc1ccc(OC)cc1)=NOC.
What is the InChIKey of 2-methoxyimino-N-[2-[2-[[2-methoxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is ZXFNSQGLGLFYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O6S2/c1-33-21-9-5-19(6-10-21)17-23(29-35-3)25(31)27-13-15-37-38-16-14-28-26(32)24(30-36-4)18-20-7-11-22(34-2)12-8-20/h5-12H,13-18H2,1-4H3,(H,27,31)(H,28,32).
What are the key properties of 2-methoxyimino-N-[2-[2-[[2-methoxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide?
2-methoxyimino-N-[2-[2-[[2-methoxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 562.71 g/mol, XLogP of 3.11, 17 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyimino-N-[2-[2-[[2-methoxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 142722655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).