5-chloro-N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-methoxybenzohydrazide

C18H19ClN2O3S — CID 9472212

IUPAC5-chloro-N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-methoxybenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)CSc1ccc(C)cc1C
InChIInChI=1S/C18H19ClN2O3S/c1-11-4-7-16(12(2)8-11)25-10-17(22)20-21-18(23)14-9-13(19)5-6-15(14)24-3/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyBIGGYUOXBSAECO-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.52
Rot. Bonds5

About 5-chloro-N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-methoxybenzohydrazide

5-chloro-N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-methoxybenzohydrazide (PubChem CID 9472212) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 5-chloro-N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-methoxybenzohydrazide.

Molecular Properties

Compound Name5-chloro-N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-methoxybenzohydrazide
PubChem CID9472212
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name5-chloro-N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-methoxybenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)CSc1ccc(C)cc1C
InChIInChI=1S/C18H19ClN2O3S/c1-11-4-7-16(12(2)8-11)25-10-17(22)20-21-18(23)14-9-13(19)5-6-15(14)24-3/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyBIGGYUOXBSAECO-UHFFFAOYSA-N
XLogP3.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-methoxybenzohydrazide 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

5-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24636073
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7354922
5-chloro-2-methoxy-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 2125835
N'-(2-benzylsulfanylacetyl)-5-chloro-2-methoxybenzohydrazide
CID 7784836
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771242
5-chloro-2-methoxy-N'-(2-quinolin-2-ylsulfanylacetyl)benzohydrazide
CID 7754724
5-chloro-2-methoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 2709916
5-chloro-N'-(3,5-dimethylbenzoyl)-2-methoxybenzohydrazide
CID 2469214
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2708642
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
1-(5-chloro-2-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone
CID 66095674

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-methoxybenzohydrazide?
The IUPAC name of 5-chloro-N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-methoxybenzohydrazide (CID 9472212) is 5-chloro-N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-methoxybenzohydrazide.
What is the SMILES notation for 5-chloro-N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-methoxybenzohydrazide?
The canonical SMILES for 5-chloro-N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-methoxybenzohydrazide is COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1ccc(C)cc1C.
What is the InChIKey of 5-chloro-N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-methoxybenzohydrazide?
The InChIKey is BIGGYUOXBSAECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-11-4-7-16(12(2)8-11)25-10-17(22)20-21-18(23)14-9-13(19)5-6-15(14)24-3/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 5-chloro-N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-methoxybenzohydrazide?
5-chloro-N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-methoxybenzohydrazide has a molecular weight of 378.88 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-methoxybenzohydrazide is sourced from PubChem (CID 9472212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).