1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-diethyl-2-methylpropanedihydrazide;ethane

C24H32N4O2S2 — CID 143634366

IUPAC1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-diethyl-2-methylpropanedihydrazide;ethane
SMILESCC.CCN(NC(=O)C(C)C(=O)NN(CC)C(=S)c1ccccc1)C(=S)c1ccccc1
InChIInChI=1S/C22H26N4O2S2.C2H6/c1-4-25(21(29)17-12-8-6-9-13-17)23-19(27)16(3)20(28)24-26(5-2)22(30)18-14-10-7-11-15-18;1-2/h6-16H,4-5H2,1-3H3,(H,23,27)(H,24,28);1-2H3
InChIKeyJVAVNPZAAKFHBJ-UHFFFAOYSA-N
MW472.68 g/mol
LogP4.11
Rot. Bonds6

About 1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-diethyl-2-methylpropanedihydrazide;ethane

1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-diethyl-2-methylpropanedihydrazide;ethane (PubChem CID 143634366) has the molecular formula C24H32N4O2S2 and a molecular weight of 472.68 g/mol. Its IUPAC name is 1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-diethyl-2-methylpropanedihydrazide;ethane.

Molecular Properties

Compound Name1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-diethyl-2-methylpropanedihydrazide;ethane
PubChem CID143634366
Molecular FormulaC24H32N4O2S2
Molecular Weight472.68 g/mol
Exact Mass472.20
IUPAC Name1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-diethyl-2-methylpropanedihydrazide;ethane
SMILESCC.CCN(NC(=O)C(C)C(=O)NN(CC)C(=S)c1ccccc1)C(=S)c1ccccc1
InChIInChI=1S/C22H26N4O2S2.C2H6/c1-4-25(21(29)17-12-8-6-9-13-17)23-19(27)16(3)20(28)24-26(5-2)22(30)18-14-10-7-11-15-18;1-2/h6-16H,4-5H2,1-3H3,(H,23,27)(H,24,28);1-2H3
InChIKeyJVAVNPZAAKFHBJ-UHFFFAOYSA-N
XLogP4.11
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.68
LogP ≤ 54.11
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'}

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Related Compounds

1-N'-(benzenecarbonothioyl)-3-N'-ethyl-1-N'-methyl-3-N'-(pyridine-4-carbothioyl)propanedihydrazide
CID 58534595
1-N'-(benzenecarbonothioyl)-3-N'-(cyclopropanecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide
CID 10156532
1-(benzenecarbonothioyl)-3,3-diethyl-1-methylurea
CID 13184586
N-(benzenecarbonothioyl)-N-propylbenzamide
CID 71326670
1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethyl-2-methylidenepropanedihydrazide
CID 58532633
3-[2-(benzenecarbonothioyl)-2-methylhydrazinyl]-3-oxopropanamide
CID 89295759
2-[ethyl(methyl)amino]-1-phenylpropan-1-one
CID 43794825
3-N'-(benzenecarbonothioyl)-1-N',3-N'-dimethyl-1-N'-(1-phenylethenyl)propanedihydrazide
CID 143634327
N-(benzenecarbonothioyl)-N-(1-phenylethyl)benzamide
CID 13262498
N-ethanethioyl-N-ethylbenzamide
CID 45118543
N,N'-bis(1-phenyl-1-sulfanylidenepropan-2-yl)propanediamide
CID 58459766
2-[ethyl(propyl)amino]-1-phenylethanone
CID 43795306

Frequently Asked Questions

What is the IUPAC name of 1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-diethyl-2-methylpropanedihydrazide;ethane?
The IUPAC name of 1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-diethyl-2-methylpropanedihydrazide;ethane (CID 143634366) is 1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-diethyl-2-methylpropanedihydrazide;ethane.
What is the SMILES notation for 1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-diethyl-2-methylpropanedihydrazide;ethane?
The canonical SMILES for 1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-diethyl-2-methylpropanedihydrazide;ethane is CC.CCN(NC(=O)C(C)C(=O)NN(CC)C(=S)c1ccccc1)C(=S)c1ccccc1.
What is the InChIKey of 1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-diethyl-2-methylpropanedihydrazide;ethane?
The InChIKey is JVAVNPZAAKFHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S2.C2H6/c1-4-25(21(29)17-12-8-6-9-13-17)23-19(27)16(3)20(28)24-26(5-2)22(30)18-14-10-7-11-15-18;1-2/h6-16H,4-5H2,1-3H3,(H,23,27)(H,24,28);1-2H3.
What are the key properties of 1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-diethyl-2-methylpropanedihydrazide;ethane?
1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-diethyl-2-methylpropanedihydrazide;ethane has a molecular weight of 472.68 g/mol, XLogP of 4.11, 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'-bis(benzenecarbonothioyl)-1-N',3-N'-diethyl-2-methylpropanedihydrazide;ethane is sourced from PubChem (CID 143634366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).