N'-[2-(3,5-dimethylphenoxy)acetyl]phenothiazine-10-carbohydrazide

C23H21N3O3S — CID 4928252

IUPACN'-[2-(3,5-dimethylphenoxy)acetyl]phenothiazine-10-carbohydrazide
SMILESCc1cc(C)cc(OCC(=O)NNC(=O)N2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C23H21N3O3S/c1-15-11-16(2)13-17(12-15)29-14-22(27)24-25-23(28)26-18-7-3-5-9-20(18)30-21-10-6-4-8-19(21)26/h3-13H,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyJSPCCYDCQQAPHY-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.73
Rot. Bonds3

About N'-[2-(3,5-dimethylphenoxy)acetyl]phenothiazine-10-carbohydrazide

N'-[2-(3,5-dimethylphenoxy)acetyl]phenothiazine-10-carbohydrazide (PubChem CID 4928252) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylphenoxy)acetyl]phenothiazine-10-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylphenoxy)acetyl]phenothiazine-10-carbohydrazide
PubChem CID4928252
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN'-[2-(3,5-dimethylphenoxy)acetyl]phenothiazine-10-carbohydrazide
SMILESCc1cc(C)cc(OCC(=O)NNC(=O)N2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C23H21N3O3S/c1-15-11-16(2)13-17(12-15)29-14-22(27)24-25-23(28)26-18-7-3-5-9-20(18)30-21-10-6-4-8-19(21)26/h3-13H,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyJSPCCYDCQQAPHY-UHFFFAOYSA-N
XLogP4.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.73
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]phenothiazine-10-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-benzothiophene-2-carbohydrazide
CID 30706652
2-(3,5-dimethylphenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
CID 7969743
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetohydrazide
CID 9470831
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-propan-2-ylsulfanylbenzohydrazide
CID 78771952
(E)-3-(2-bromophenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]prop-2-enehydrazide
CID 9470661
N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 4504681
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-methoxyphenyl)acetohydrazide
CID 909252
2-(3-hydroxy-5-methylphenoxy)-N-phenylacetamide
CID 107679862
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 26656621
2-(3,5-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932401
N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide
CID 4933087
N'-[2-(3,5-dimethylphenoxy)acetyl]-1-hydroxynaphthalene-2-carbohydrazide
CID 1372554

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]phenothiazine-10-carbohydrazide?
The IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]phenothiazine-10-carbohydrazide (CID 4928252) is N'-[2-(3,5-dimethylphenoxy)acetyl]phenothiazine-10-carbohydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylphenoxy)acetyl]phenothiazine-10-carbohydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylphenoxy)acetyl]phenothiazine-10-carbohydrazide is Cc1cc(C)cc(OCC(=O)NNC(=O)N2c3ccccc3Sc3ccccc32)c1.
What is the InChIKey of N'-[2-(3,5-dimethylphenoxy)acetyl]phenothiazine-10-carbohydrazide?
The InChIKey is JSPCCYDCQQAPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-15-11-16(2)13-17(12-15)29-14-22(27)24-25-23(28)26-18-7-3-5-9-20(18)30-21-10-6-4-8-19(21)26/h3-13H,14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N'-[2-(3,5-dimethylphenoxy)acetyl]phenothiazine-10-carbohydrazide?
N'-[2-(3,5-dimethylphenoxy)acetyl]phenothiazine-10-carbohydrazide has a molecular weight of 419.51 g/mol, XLogP of 4.73, 3 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]phenothiazine-10-carbohydrazide is sourced from PubChem (CID 4928252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).