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

C24H30N4O6S2 — CID 155553299

IUPAC(2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C/C(=N\O)C(=O)NCCSSCCNC(=O)/C(Cc2ccc(OC)cc2)=N/O)cc1
InChIInChI=1S/C24H30N4O6S2/c1-33-19-7-3-17(4-8-19)15-21(27-31)23(29)25-11-13-35-36-14-12-26-24(30)22(28-32)16-18-5-9-20(34-2)10-6-18/h3-10,31-32H,11-16H2,1-2H3,(H,25,29)(H,26,30)/b27-21+,28-22+
InChIKeyFNXGNPSZWGEAOH-GPAWKIAZSA-N
MW534.66 g/mol
LogP2.76
Rot. Bonds15

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

(2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 155553299) has the molecular formula C24H30N4O6S2 and a molecular weight of 534.66 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide
PubChem CID155553299
Molecular FormulaC24H30N4O6S2
Molecular Weight534.66 g/mol
Exact Mass534.16
IUPAC Name(2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C/C(=N\O)C(=O)NCCSSCCNC(=O)/C(Cc2ccc(OC)cc2)=N/O)cc1
InChIInChI=1S/C24H30N4O6S2/c1-33-19-7-3-17(4-8-19)15-21(27-31)23(29)25-11-13-35-36-14-12-26-24(30)22(28-32)16-18-5-9-20(34-2)10-6-18/h3-10,31-32H,11-16H2,1-2H3,(H,25,29)(H,26,30)/b27-21+,28-22+
InChIKeyFNXGNPSZWGEAOH-GPAWKIAZSA-N
XLogP2.76
TPSA141.84 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.66
LogP ≤ 52.76
H-Bond Donors ≤ 54
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide (CID 155553299) is (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(C/C(=N\O)C(=O)NCCSSCCNC(=O)/C(Cc2ccc(OC)cc2)=N/O)cc1.
What is the InChIKey of (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is FNXGNPSZWGEAOH-GPAWKIAZSA-N. The full InChI is InChI=1S/C24H30N4O6S2/c1-33-19-7-3-17(4-8-19)15-21(27-31)23(29)25-11-13-35-36-14-12-26-24(30)22(28-32)16-18-5-9-20(34-2)10-6-18/h3-10,31-32H,11-16H2,1-2H3,(H,25,29)(H,26,30)/b27-21+,28-22+.
What are the key properties of (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide?
(2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 534.66 g/mol, XLogP of 2.76, 15 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-(4-methoxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 155553299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).