1-N',3-N'-di(ethanethioyl)-1-N',3-N'-bis(2-ethylphenyl)propanedihydrazide

C23H28N4O2S2 — CID 10115262

IUPAC1-N',3-N'-di(ethanethioyl)-1-N',3-N'-bis(2-ethylphenyl)propanedihydrazide
SMILESCCc1ccccc1N(NC(=O)CC(=O)NN(C(C)=S)c1ccccc1CC)C(C)=S
InChIInChI=1S/C23H28N4O2S2/c1-5-18-11-7-9-13-20(18)26(16(3)30)24-22(28)15-23(29)25-27(17(4)31)21-14-10-8-12-19(21)6-2/h7-14H,5-6,15H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyRBYYAYOLNOKBNI-UHFFFAOYSA-N
MW456.64 g/mol
LogP4.27
Rot. Bonds6

About 1-N',3-N'-di(ethanethioyl)-1-N',3-N'-bis(2-ethylphenyl)propanedihydrazide

1-N',3-N'-di(ethanethioyl)-1-N',3-N'-bis(2-ethylphenyl)propanedihydrazide (PubChem CID 10115262) has the molecular formula C23H28N4O2S2 and a molecular weight of 456.64 g/mol. Its IUPAC name is 1-N',3-N'-di(ethanethioyl)-1-N',3-N'-bis(2-ethylphenyl)propanedihydrazide.

Molecular Properties

Compound Name1-N',3-N'-di(ethanethioyl)-1-N',3-N'-bis(2-ethylphenyl)propanedihydrazide
PubChem CID10115262
Molecular FormulaC23H28N4O2S2
Molecular Weight456.64 g/mol
Exact Mass456.17
IUPAC Name1-N',3-N'-di(ethanethioyl)-1-N',3-N'-bis(2-ethylphenyl)propanedihydrazide
SMILESCCc1ccccc1N(NC(=O)CC(=O)NN(C(C)=S)c1ccccc1CC)C(C)=S
InChIInChI=1S/C23H28N4O2S2/c1-5-18-11-7-9-13-20(18)26(16(3)30)24-22(28)15-23(29)25-27(17(4)31)21-14-10-8-12-19(21)6-2/h7-14H,5-6,15H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyRBYYAYOLNOKBNI-UHFFFAOYSA-N
XLogP4.27
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.64
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-N',3-N'-di(ethanethioyl)-1-N',3-N'-bis(2-ethylphenyl)propanedihydrazide 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 1-N',3-N'-di(ethanethioyl)-1-N',3-N'-bis(2-ethylphenyl)propanedihydrazide?
The IUPAC name of 1-N',3-N'-di(ethanethioyl)-1-N',3-N'-bis(2-ethylphenyl)propanedihydrazide (CID 10115262) is 1-N',3-N'-di(ethanethioyl)-1-N',3-N'-bis(2-ethylphenyl)propanedihydrazide.
What is the SMILES notation for 1-N',3-N'-di(ethanethioyl)-1-N',3-N'-bis(2-ethylphenyl)propanedihydrazide?
The canonical SMILES for 1-N',3-N'-di(ethanethioyl)-1-N',3-N'-bis(2-ethylphenyl)propanedihydrazide is CCc1ccccc1N(NC(=O)CC(=O)NN(C(C)=S)c1ccccc1CC)C(C)=S.
What is the InChIKey of 1-N',3-N'-di(ethanethioyl)-1-N',3-N'-bis(2-ethylphenyl)propanedihydrazide?
The InChIKey is RBYYAYOLNOKBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S2/c1-5-18-11-7-9-13-20(18)26(16(3)30)24-22(28)15-23(29)25-27(17(4)31)21-14-10-8-12-19(21)6-2/h7-14H,5-6,15H2,1-4H3,(H,24,28)(H,25,29).
What are the key properties of 1-N',3-N'-di(ethanethioyl)-1-N',3-N'-bis(2-ethylphenyl)propanedihydrazide?
1-N',3-N'-di(ethanethioyl)-1-N',3-N'-bis(2-ethylphenyl)propanedihydrazide has a molecular weight of 456.64 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',3-N'-di(ethanethioyl)-1-N',3-N'-bis(2-ethylphenyl)propanedihydrazide is sourced from PubChem (CID 10115262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).