4-(2,5-dimethylthiophen-3-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]-4-oxobutanehydrazide

C20H24N2O5S — CID 24635830

IUPAC4-(2,5-dimethylthiophen-3-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]-4-oxobutanehydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)CCC(=O)c1cc(C)sc1C
InChIInChI=1S/C20H24N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-20(25)22-21-19(24)10-9-16(23)15-11-13(2)28-14(15)3/h5-8,11H,4,9-10,12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyTXEJXJJEOHMFDK-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.95
Rot. Bonds9

About 4-(2,5-dimethylthiophen-3-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]-4-oxobutanehydrazide

4-(2,5-dimethylthiophen-3-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]-4-oxobutanehydrazide (PubChem CID 24635830) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]-4-oxobutanehydrazide.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]-4-oxobutanehydrazide
PubChem CID24635830
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]-4-oxobutanehydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)CCC(=O)c1cc(C)sc1C
InChIInChI=1S/C20H24N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-20(25)22-21-19(24)10-9-16(23)15-11-13(2)28-14(15)3/h5-8,11H,4,9-10,12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyTXEJXJJEOHMFDK-UHFFFAOYSA-N
XLogP2.95
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.95
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-cyanophenoxy)acetyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanehydrazide
CID 24645648
4-(2,5-dimethylthiophen-3-yl)-N-(4-ethoxy-3-methoxyphenyl)-4-oxobutanamide
CID 9102600
4-(2,5-dimethylthiophen-3-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide
CID 55933615
4-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 43009505
4-(2,5-dimethylthiophen-3-yl)-N-(2-hydroxyphenyl)-4-oxobutanamide
CID 24535621
2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethoxy]benzamide
CID 43231129
N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 4849396
1-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]-3-(4-fluorophenyl)thiourea
CID 9469366
N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 9315700
N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 18159247
N'-[2-(2-ethoxyphenoxy)acetyl]-4-methylbenzohydrazide
CID 7918380
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dimethylbenzohydrazide
CID 2102668

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]-4-oxobutanehydrazide?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]-4-oxobutanehydrazide (CID 24635830) is 4-(2,5-dimethylthiophen-3-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]-4-oxobutanehydrazide.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]-4-oxobutanehydrazide?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]-4-oxobutanehydrazide is CCOc1ccccc1OCC(=O)NNC(=O)CCC(=O)c1cc(C)sc1C.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]-4-oxobutanehydrazide?
The InChIKey is TXEJXJJEOHMFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-20(25)22-21-19(24)10-9-16(23)15-11-13(2)28-14(15)3/h5-8,11H,4,9-10,12H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]-4-oxobutanehydrazide?
4-(2,5-dimethylthiophen-3-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]-4-oxobutanehydrazide has a molecular weight of 404.49 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]-4-oxobutanehydrazide is sourced from PubChem (CID 24635830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).