4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide

C20H23N3O6S — CID 55433514

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C20H23N3O6S/c1-2-28-17-6-3-4-7-18(17)29-14-19(24)21-22-20(25)15-8-10-16(11-9-15)23-12-5-13-30(23,26)27/h3-4,6-11H,2,5,12-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyWBOJFPCHCCAREF-UHFFFAOYSA-N
MW433.49 g/mol
LogP1.47
Rot. Bonds7

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide (PubChem CID 55433514) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide
PubChem CID55433514
Molecular FormulaC20H23N3O6S
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C20H23N3O6S/c1-2-28-17-6-3-4-7-18(17)29-14-19(24)21-22-20(25)15-8-10-16(11-9-15)23-12-5-13-30(23,26)27/h3-4,6-11H,2,5,12-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyWBOJFPCHCCAREF-UHFFFAOYSA-N
XLogP1.47
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 51.47
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-(2-ethoxyphenoxy)acetyl]-4-methylbenzohydrazide
CID 7918380
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethoxybenzamide
CID 18169101
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide
CID 51246187
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4,5-triethoxybenzamide
CID 16831289
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dimethylbenzohydrazide
CID 2102668
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4,5-triethoxybenzamide
CID 18564859
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide
CID 55358632
3,4-dichloro-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide
CID 2091621
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea
CID 30375036
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844494
6-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide
CID 18287311

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide (CID 55433514) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide is CCOc1ccccc1OCC(=O)NNC(=O)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide?
The InChIKey is WBOJFPCHCCAREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S/c1-2-28-17-6-3-4-7-18(17)29-14-19(24)21-22-20(25)15-8-10-16(11-9-15)23-12-5-13-30(23,26)27/h3-4,6-11H,2,5,12-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide has a molecular weight of 433.49 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 55433514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).