N'-[2-(3,5-dimethylphenoxy)acetyl]-1-benzothiophene-2-carbohydrazide

C19H18N2O3S — CID 30706652

IUPACN'-[2-(3,5-dimethylphenoxy)acetyl]-1-benzothiophene-2-carbohydrazide
SMILESCc1cc(C)cc(OCC(=O)NNC(=O)c2cc3ccccc3s2)c1
InChIInChI=1S/C19H18N2O3S/c1-12-7-13(2)9-15(8-12)24-11-18(22)20-21-19(23)17-10-14-5-3-4-6-16(14)25-17/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJRRCFESPEJICLL-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.36
Rot. Bonds4

About N'-[2-(3,5-dimethylphenoxy)acetyl]-1-benzothiophene-2-carbohydrazide

N'-[2-(3,5-dimethylphenoxy)acetyl]-1-benzothiophene-2-carbohydrazide (PubChem CID 30706652) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylphenoxy)acetyl]-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylphenoxy)acetyl]-1-benzothiophene-2-carbohydrazide
PubChem CID30706652
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN'-[2-(3,5-dimethylphenoxy)acetyl]-1-benzothiophene-2-carbohydrazide
SMILESCc1cc(C)cc(OCC(=O)NNC(=O)c2cc3ccccc3s2)c1
InChIInChI=1S/C19H18N2O3S/c1-12-7-13(2)9-15(8-12)24-11-18(22)20-21-19(23)17-10-14-5-3-4-6-16(14)25-17/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJRRCFESPEJICLL-UHFFFAOYSA-N
XLogP3.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.36
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-(3,5-dimethylphenoxy)acetyl]-1-benzothiophene-2-carbohydrazide 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

N'-[2-(3,5-dimethylphenoxy)acetyl]-1-hydroxynaphthalene-2-carbohydrazide
CID 1372554
(1-benzothiophene-2-carbonylamino)urea
CID 57488392
N'-[2-(3,5-dimethylphenoxy)acetyl]phenothiazine-10-carbohydrazide
CID 4928252
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-oxochromene-3-carbohydrazide
CID 1050674
N'-[2-(3-methylphenoxy)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684469
N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide
CID 4933087
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-propan-2-ylsulfanylbenzohydrazide
CID 78771952
N'-(2-naphthalen-2-yloxyacetyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684541
N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 4504681
N'-[2-(3,5-dimethylphenoxy)acetyl]-1H-indazole-7-carbohydrazide
CID 36855293
5-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-propylthiophene-2-carbohydrazide
CID 24538754
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-methoxyphenyl)acetohydrazide
CID 909252

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]-1-benzothiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]-1-benzothiophene-2-carbohydrazide (CID 30706652) is N'-[2-(3,5-dimethylphenoxy)acetyl]-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylphenoxy)acetyl]-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylphenoxy)acetyl]-1-benzothiophene-2-carbohydrazide is Cc1cc(C)cc(OCC(=O)NNC(=O)c2cc3ccccc3s2)c1.
What is the InChIKey of N'-[2-(3,5-dimethylphenoxy)acetyl]-1-benzothiophene-2-carbohydrazide?
The InChIKey is JRRCFESPEJICLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-12-7-13(2)9-15(8-12)24-11-18(22)20-21-19(23)17-10-14-5-3-4-6-16(14)25-17/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(3,5-dimethylphenoxy)acetyl]-1-benzothiophene-2-carbohydrazide?
N'-[2-(3,5-dimethylphenoxy)acetyl]-1-benzothiophene-2-carbohydrazide has a molecular weight of 354.43 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylphenoxy)acetyl]-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 30706652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).