2-N',6-N'-bis(benzenecarbonothioyl)-2-N',6-N'-dimethyl-4-oxooxane-2,6-dicarbohydrazide

C23H24N4O4S2 — CID 24937925

IUPAC2-N',6-N'-bis(benzenecarbonothioyl)-2-N',6-N'-dimethyl-4-oxooxane-2,6-dicarbohydrazide
SMILESCN(NC(=O)C1CC(=O)CC(C(=O)NN(C)C(=S)c2ccccc2)O1)C(=S)c1ccccc1
InChIInChI=1S/C23H24N4O4S2/c1-26(22(32)15-9-5-3-6-10-15)24-20(29)18-13-17(28)14-19(31-18)21(30)25-27(2)23(33)16-11-7-4-8-12-16/h3-12,18-19H,13-14H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyHLPKARZPXMJVMO-UHFFFAOYSA-N
MW484.60 g/mol
LogP1.78
Rot. Bonds4

About 2-N',6-N'-bis(benzenecarbonothioyl)-2-N',6-N'-dimethyl-4-oxooxane-2,6-dicarbohydrazide

2-N',6-N'-bis(benzenecarbonothioyl)-2-N',6-N'-dimethyl-4-oxooxane-2,6-dicarbohydrazide (PubChem CID 24937925) has the molecular formula C23H24N4O4S2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-N',6-N'-bis(benzenecarbonothioyl)-2-N',6-N'-dimethyl-4-oxooxane-2,6-dicarbohydrazide.

Molecular Properties

Compound Name2-N',6-N'-bis(benzenecarbonothioyl)-2-N',6-N'-dimethyl-4-oxooxane-2,6-dicarbohydrazide
PubChem CID24937925
Molecular FormulaC23H24N4O4S2
Molecular Weight484.60 g/mol
Exact Mass484.12
IUPAC Name2-N',6-N'-bis(benzenecarbonothioyl)-2-N',6-N'-dimethyl-4-oxooxane-2,6-dicarbohydrazide
SMILESCN(NC(=O)C1CC(=O)CC(C(=O)NN(C)C(=S)c2ccccc2)O1)C(=S)c1ccccc1
InChIInChI=1S/C23H24N4O4S2/c1-26(22(32)15-9-5-3-6-10-15)24-20(29)18-13-17(28)14-19(31-18)21(30)25-27(2)23(33)16-11-7-4-8-12-16/h3-12,18-19H,13-14H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyHLPKARZPXMJVMO-UHFFFAOYSA-N
XLogP1.78
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-N',6-N'-bis(benzenecarbonothioyl)-2-N',6-N'-dimethyl-4-oxooxane-2,6-dicarbohydrazide with MolForge

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Related Compounds

1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethyl-2-methylidenepropanedihydrazide
CID 58532633
2-N',6-N'-bis(benzenecarbonothioyl)-2-N',6-N'-dimethyl-4-oxopyran-2,6-dicarbohydrazide
CID 58459688
3-[2-(benzenecarbonothioyl)-2-methylhydrazinyl]-3-oxopropanamide
CID 89295759
3-N',4-N'-bis(benzenecarbonothioyl)-3-N',4-N'-dimethyl-1H-pyrrole-3,4-dicarbohydrazide
CID 24938048
3-N'-(benzenecarbonothioyl)-1-N',3-N'-dimethyl-1-N'-(1-phenylethenyl)propanedihydrazide
CID 143634327
1-N'-(benzenecarbonothioyl)-3-N'-(cyclopropanecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide
CID 10156532
1-[benzenecarbonothioyl(methyl)amino]-3-[[benzenecarbonothioyl(methyl)amino]sulfamoyl]urea
CID 87484183
3-N'-(benzenecarbonothioyl)-1-N'-(cyclohexa-1,3-diene-1-carbothioyl)-1-N',3-N'-dimethylpropanedihydrazide
CID 89295743
N-[1-[2-[2-(1,3-benzodioxole-5-carbothioyl)-2-methylhydrazinyl]-2-oxoethyl]sulfonylaziridin-1-ium-1-yl]-N-methylbenzenecarbothioamide
CID 91550552
3-N'-(benzenecarbonothioyl)-3-N'-methyl-1-N'-(2-methylbenzenecarbothioyl)propanedihydrazide
CID 87273939
1-N'-(benzenecarbonothioyl)-3-N'-ethyl-1-N'-methyl-3-N'-(pyridine-4-carbothioyl)propanedihydrazide
CID 58534595
methyl N-[[2-[2-(benzenecarbonothioyl)-2-methylhydrazinyl]-2-oxoethyl]sulfonylamino]-N-methylcarbamodithioate
CID 87108726

Frequently Asked Questions

What is the IUPAC name of 2-N',6-N'-bis(benzenecarbonothioyl)-2-N',6-N'-dimethyl-4-oxooxane-2,6-dicarbohydrazide?
The IUPAC name of 2-N',6-N'-bis(benzenecarbonothioyl)-2-N',6-N'-dimethyl-4-oxooxane-2,6-dicarbohydrazide (CID 24937925) is 2-N',6-N'-bis(benzenecarbonothioyl)-2-N',6-N'-dimethyl-4-oxooxane-2,6-dicarbohydrazide.
What is the SMILES notation for 2-N',6-N'-bis(benzenecarbonothioyl)-2-N',6-N'-dimethyl-4-oxooxane-2,6-dicarbohydrazide?
The canonical SMILES for 2-N',6-N'-bis(benzenecarbonothioyl)-2-N',6-N'-dimethyl-4-oxooxane-2,6-dicarbohydrazide is CN(NC(=O)C1CC(=O)CC(C(=O)NN(C)C(=S)c2ccccc2)O1)C(=S)c1ccccc1.
What is the InChIKey of 2-N',6-N'-bis(benzenecarbonothioyl)-2-N',6-N'-dimethyl-4-oxooxane-2,6-dicarbohydrazide?
The InChIKey is HLPKARZPXMJVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S2/c1-26(22(32)15-9-5-3-6-10-15)24-20(29)18-13-17(28)14-19(31-18)21(30)25-27(2)23(33)16-11-7-4-8-12-16/h3-12,18-19H,13-14H2,1-2H3,(H,24,29)(H,25,30).
What are the key properties of 2-N',6-N'-bis(benzenecarbonothioyl)-2-N',6-N'-dimethyl-4-oxooxane-2,6-dicarbohydrazide?
2-N',6-N'-bis(benzenecarbonothioyl)-2-N',6-N'-dimethyl-4-oxooxane-2,6-dicarbohydrazide has a molecular weight of 484.60 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N',6-N'-bis(benzenecarbonothioyl)-2-N',6-N'-dimethyl-4-oxooxane-2,6-dicarbohydrazide is sourced from PubChem (CID 24937925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).