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

C19H19N3O4S — CID 24645648

IUPACN'-[2-(2-cyanophenoxy)acetyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanehydrazide
SMILESCc1cc(C(=O)CCC(=O)NNC(=O)COc2ccccc2C#N)c(C)s1
InChIInChI=1S/C19H19N3O4S/c1-12-9-15(13(2)27-12)16(23)7-8-18(24)21-22-19(25)11-26-17-6-4-3-5-14(17)10-20/h3-6,9H,7-8,11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyYILFYNKVYPNVKT-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.43
Rot. Bonds7

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

N'-[2-(2-cyanophenoxy)acetyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanehydrazide (PubChem CID 24645648) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N'-[2-(2-cyanophenoxy)acetyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-cyanophenoxy)acetyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanehydrazide
PubChem CID24645648
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN'-[2-(2-cyanophenoxy)acetyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanehydrazide
SMILESCc1cc(C(=O)CCC(=O)NNC(=O)COc2ccccc2C#N)c(C)s1
InChIInChI=1S/C19H19N3O4S/c1-12-9-15(13(2)27-12)16(23)7-8-18(24)21-22-19(25)11-26-17-6-4-3-5-14(17)10-20/h3-6,9H,7-8,11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyYILFYNKVYPNVKT-UHFFFAOYSA-N
XLogP2.43
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

4-(2,5-dimethylthiophen-3-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]-4-oxobutanehydrazide
CID 24635830
N'-[2-(2-cyanophenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide
CID 24645668
4-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 43009505
N'-[2-(2-cyanophenoxy)acetyl]-2-(2-methoxy-5-methylphenyl)acetohydrazide
CID 9376079
1-[[2-(2-cyanophenoxy)acetyl]amino]-3-(6-methylpyridazin-3-yl)urea
CID 166386226
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
N'-[2-(2-cyanophenoxy)acetyl]-3-(4-fluorophenyl)sulfanylpropanehydrazide
CID 25435637
5-chloro-N'-[2-(2-cyanophenoxy)acetyl]-2-methoxybenzohydrazide
CID 4811622
2-[[2-(2-cyanophenoxy)acetyl]amino]benzamide
CID 7560509
N'-[2-(2-cyanophenoxy)acetyl]-2,6-dimethylquinoline-3-carbohydrazide
CID 35947821
4-(2,5-dimethylthiophen-3-yl)-N-(2-hydroxyphenyl)-4-oxobutanamide
CID 24535621
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-cyanophenoxy)acetyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanehydrazide?
The IUPAC name of N'-[2-(2-cyanophenoxy)acetyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanehydrazide (CID 24645648) is N'-[2-(2-cyanophenoxy)acetyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanehydrazide.
What is the SMILES notation for N'-[2-(2-cyanophenoxy)acetyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanehydrazide?
The canonical SMILES for N'-[2-(2-cyanophenoxy)acetyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanehydrazide is Cc1cc(C(=O)CCC(=O)NNC(=O)COc2ccccc2C#N)c(C)s1.
What is the InChIKey of N'-[2-(2-cyanophenoxy)acetyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanehydrazide?
The InChIKey is YILFYNKVYPNVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-12-9-15(13(2)27-12)16(23)7-8-18(24)21-22-19(25)11-26-17-6-4-3-5-14(17)10-20/h3-6,9H,7-8,11H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(2-cyanophenoxy)acetyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanehydrazide?
N'-[2-(2-cyanophenoxy)acetyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanehydrazide has a molecular weight of 385.45 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-cyanophenoxy)acetyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanehydrazide is sourced from PubChem (CID 24645648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).