3-[3-oxo-3-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]propyl]sulfanyl-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]propanamide

C24H26N4O2S — CID 92529742

IUPAC3-[3-oxo-3-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]propyl]sulfanyl-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]propanamide
SMILESO=C(CCSCCC(=O)N/N=C/C=C\c1ccccc1)N/N=C/C=C\c1ccccc1
InChIInChI=1S/C24H26N4O2S/c29-23(27-25-17-7-13-21-9-3-1-4-10-21)15-19-31-20-16-24(30)28-26-18-8-14-22-11-5-2-6-12-22/h1-14,17-18H,15-16,19-20H2,(H,27,29)(H,28,30)/b13-7-,14-8-,25-17+,26-18+
InChIKeyXJIDPSLTNBKHTD-DFIMXBKUSA-N
MW434.56 g/mol
LogP4.13
Rot. Bonds12

About 3-[3-oxo-3-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]propyl]sulfanyl-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]propanamide

3-[3-oxo-3-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]propyl]sulfanyl-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]propanamide (PubChem CID 92529742) has the molecular formula C24H26N4O2S and a molecular weight of 434.56 g/mol. Its IUPAC name is 3-[3-oxo-3-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]propyl]sulfanyl-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]propanamide.

Molecular Properties

Compound Name3-[3-oxo-3-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]propyl]sulfanyl-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]propanamide
PubChem CID92529742
Molecular FormulaC24H26N4O2S
Molecular Weight434.56 g/mol
Exact Mass434.18
IUPAC Name3-[3-oxo-3-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]propyl]sulfanyl-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]propanamide
SMILESO=C(CCSCCC(=O)N/N=C/C=C\c1ccccc1)N/N=C/C=C\c1ccccc1
InChIInChI=1S/C24H26N4O2S/c29-23(27-25-17-7-13-21-9-3-1-4-10-21)15-19-31-20-16-24(30)28-26-18-8-14-22-11-5-2-6-12-22/h1-14,17-18H,15-16,19-20H2,(H,27,29)(H,28,30)/b13-7-,14-8-,25-17+,26-18+
InChIKeyXJIDPSLTNBKHTD-DFIMXBKUSA-N
XLogP4.13
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-[3-oxo-3-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]propyl]sulfanyl-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]propanamide?
The IUPAC name of 3-[3-oxo-3-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]propyl]sulfanyl-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]propanamide (CID 92529742) is 3-[3-oxo-3-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]propyl]sulfanyl-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]propanamide.
What is the SMILES notation for 3-[3-oxo-3-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]propyl]sulfanyl-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]propanamide?
The canonical SMILES for 3-[3-oxo-3-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]propyl]sulfanyl-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]propanamide is O=C(CCSCCC(=O)N/N=C/C=C\c1ccccc1)N/N=C/C=C\c1ccccc1.
What is the InChIKey of 3-[3-oxo-3-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]propyl]sulfanyl-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]propanamide?
The InChIKey is XJIDPSLTNBKHTD-DFIMXBKUSA-N. The full InChI is InChI=1S/C24H26N4O2S/c29-23(27-25-17-7-13-21-9-3-1-4-10-21)15-19-31-20-16-24(30)28-26-18-8-14-22-11-5-2-6-12-22/h1-14,17-18H,15-16,19-20H2,(H,27,29)(H,28,30)/b13-7-,14-8-,25-17+,26-18+.
What are the key properties of 3-[3-oxo-3-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]propyl]sulfanyl-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]propanamide?
3-[3-oxo-3-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]propyl]sulfanyl-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]propanamide has a molecular weight of 434.56 g/mol, XLogP of 4.13, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]propyl]sulfanyl-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]propanamide is sourced from PubChem (CID 92529742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).