3-(3,5-dimethoxyphenyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]propanehydrazide

C17H24N2O6S — CID 46463274

IUPAC3-(3,5-dimethoxyphenyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]propanehydrazide
SMILESCOc1cc(CCC(=O)NNC(=O)CC2CCS(=O)(=O)C2)cc(OC)c1
InChIInChI=1S/C17H24N2O6S/c1-24-14-7-12(8-15(10-14)25-2)3-4-16(20)18-19-17(21)9-13-5-6-26(22,23)11-13/h7-8,10,13H,3-6,9,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyWVOZGLBFERWPEA-UHFFFAOYSA-N
MW384.45 g/mol
LogP0.61
Rot. Bonds7

About 3-(3,5-dimethoxyphenyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]propanehydrazide

3-(3,5-dimethoxyphenyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]propanehydrazide (PubChem CID 46463274) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]propanehydrazide
PubChem CID46463274
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Name3-(3,5-dimethoxyphenyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]propanehydrazide
SMILESCOc1cc(CCC(=O)NNC(=O)CC2CCS(=O)(=O)C2)cc(OC)c1
InChIInChI=1S/C17H24N2O6S/c1-24-14-7-12(8-15(10-14)25-2)3-4-16(20)18-19-17(21)9-13-5-6-26(22,23)11-13/h7-8,10,13H,3-6,9,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyWVOZGLBFERWPEA-UHFFFAOYSA-N
XLogP0.61
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-3-(3,4,5-trimethoxyphenyl)propanehydrazide
CID 46463707
1-cyclopentyl-3-[3-(3,5-dimethoxyphenyl)propanoylamino]thiourea
CID 9090148
N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-3-(2-methylphenoxy)propanehydrazide
CID 8939011
N'-[2-(1-adamantyl)acetyl]-3-(3,5-dimethoxyphenyl)propanehydrazide
CID 9086066
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetohydrazide
CID 9374171
N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-2-methoxy-4-methylsulfanylbenzohydrazide
CID 8938735
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(1,1-dioxothiolan-3-yl)acetohydrazide
CID 55395780
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]propanehydrazide
CID 1489954
2-[2-[3-(3,5-dimethoxyphenyl)propanoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 8532198
4-butoxy-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-3-methoxybenzohydrazide
CID 8938936
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide
CID 9370055
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]acetamide
CID 135776784

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]propanehydrazide?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]propanehydrazide (CID 46463274) is 3-(3,5-dimethoxyphenyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]propanehydrazide.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]propanehydrazide?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]propanehydrazide is COc1cc(CCC(=O)NNC(=O)CC2CCS(=O)(=O)C2)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]propanehydrazide?
The InChIKey is WVOZGLBFERWPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-24-14-7-12(8-15(10-14)25-2)3-4-16(20)18-19-17(21)9-13-5-6-26(22,23)11-13/h7-8,10,13H,3-6,9,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 3-(3,5-dimethoxyphenyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]propanehydrazide?
3-(3,5-dimethoxyphenyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]propanehydrazide has a molecular weight of 384.45 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]propanehydrazide is sourced from PubChem (CID 46463274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).