N'-[2-(4-ethylphenoxy)acetyl]-4-thiophen-2-ylbutanehydrazide

C18H22N2O3S — CID 9472040

IUPACN'-[2-(4-ethylphenoxy)acetyl]-4-thiophen-2-ylbutanehydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)CCCc2cccs2)cc1
InChIInChI=1S/C18H22N2O3S/c1-2-14-8-10-15(11-9-14)23-13-18(22)20-19-17(21)7-3-5-16-6-4-12-24-16/h4,6,8-12H,2-3,5,7,13H2,1H3,(H,19,21)(H,20,22)
InChIKeyMRFXDZCWBKQDMF-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.86
Rot. Bonds8

About N'-[2-(4-ethylphenoxy)acetyl]-4-thiophen-2-ylbutanehydrazide

N'-[2-(4-ethylphenoxy)acetyl]-4-thiophen-2-ylbutanehydrazide (PubChem CID 9472040) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N'-[2-(4-ethylphenoxy)acetyl]-4-thiophen-2-ylbutanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-ethylphenoxy)acetyl]-4-thiophen-2-ylbutanehydrazide
PubChem CID9472040
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN'-[2-(4-ethylphenoxy)acetyl]-4-thiophen-2-ylbutanehydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)CCCc2cccs2)cc1
InChIInChI=1S/C18H22N2O3S/c1-2-14-8-10-15(11-9-14)23-13-18(22)20-19-17(21)7-3-5-16-6-4-12-24-16/h4,6,8-12H,2-3,5,7,13H2,1H3,(H,19,21)(H,20,22)
InChIKeyMRFXDZCWBKQDMF-UHFFFAOYSA-N
XLogP2.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-(4-ethylphenoxy)acetyl]-4-thiophen-2-ylbutanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide
CID 3385883
5-(phenoxymethyl)-N'-(4-thiophen-2-ylbutanoyl)furan-2-carbohydrazide
CID 9219783
N-[(1S)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-4-thiophen-2-ylbutanamide
CID 96509347
3-ethoxy-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 17357896
2-(4-ethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5416726
3,5-dimethoxy-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide
CID 17391517
N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 5116973
N'-methyl-5-thiophen-2-ylpentanehydrazide
CID 116846588
3-(benzenesulfonyl)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 9472102
4-ethoxy-N-[4-[(4-thiophen-2-ylbutanoylamino)carbamoyl]phenyl]benzenesulfonamide
CID 4847097
N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-thiophen-2-ylbutanehydrazide
CID 40611154
N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide
CID 70852355

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethylphenoxy)acetyl]-4-thiophen-2-ylbutanehydrazide?
The IUPAC name of N'-[2-(4-ethylphenoxy)acetyl]-4-thiophen-2-ylbutanehydrazide (CID 9472040) is N'-[2-(4-ethylphenoxy)acetyl]-4-thiophen-2-ylbutanehydrazide.
What is the SMILES notation for N'-[2-(4-ethylphenoxy)acetyl]-4-thiophen-2-ylbutanehydrazide?
The canonical SMILES for N'-[2-(4-ethylphenoxy)acetyl]-4-thiophen-2-ylbutanehydrazide is CCc1ccc(OCC(=O)NNC(=O)CCCc2cccs2)cc1.
What is the InChIKey of N'-[2-(4-ethylphenoxy)acetyl]-4-thiophen-2-ylbutanehydrazide?
The InChIKey is MRFXDZCWBKQDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-2-14-8-10-15(11-9-14)23-13-18(22)20-19-17(21)7-3-5-16-6-4-12-24-16/h4,6,8-12H,2-3,5,7,13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(4-ethylphenoxy)acetyl]-4-thiophen-2-ylbutanehydrazide?
N'-[2-(4-ethylphenoxy)acetyl]-4-thiophen-2-ylbutanehydrazide has a molecular weight of 346.45 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethylphenoxy)acetyl]-4-thiophen-2-ylbutanehydrazide is sourced from PubChem (CID 9472040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).