2-(3,4-dimethylphenyl)sulfanyl-N'-(4-ethoxyphenyl)sulfonylacetohydrazide

C18H22N2O4S2 — CID 9243979

IUPAC2-(3,4-dimethylphenyl)sulfanyl-N'-(4-ethoxyphenyl)sulfonylacetohydrazide
SMILESCCOc1ccc(S(=O)(=O)NNC(=O)CSc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H22N2O4S2/c1-4-24-15-6-9-17(10-7-15)26(22,23)20-19-18(21)12-25-16-8-5-13(2)14(3)11-16/h5-11,20H,4,12H2,1-3H3,(H,19,21)
InChIKeyJICAIPMQNQXFFQ-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.80
Rot. Bonds8

About 2-(3,4-dimethylphenyl)sulfanyl-N'-(4-ethoxyphenyl)sulfonylacetohydrazide

2-(3,4-dimethylphenyl)sulfanyl-N'-(4-ethoxyphenyl)sulfonylacetohydrazide (PubChem CID 9243979) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfanyl-N'-(4-ethoxyphenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfanyl-N'-(4-ethoxyphenyl)sulfonylacetohydrazide
PubChem CID9243979
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC Name2-(3,4-dimethylphenyl)sulfanyl-N'-(4-ethoxyphenyl)sulfonylacetohydrazide
SMILESCCOc1ccc(S(=O)(=O)NNC(=O)CSc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H22N2O4S2/c1-4-24-15-6-9-17(10-7-15)26(22,23)20-19-18(21)12-25-16-8-5-13(2)14(3)11-16/h5-11,20H,4,12H2,1-3H3,(H,19,21)
InChIKeyJICAIPMQNQXFFQ-UHFFFAOYSA-N
XLogP2.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3,4-dimethylphenyl)sulfanyl-N'-(4-ethoxyphenyl)sulfonylacetohydrazide 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'-(4-ethoxyphenyl)sulfonyl-2-phenylsulfanylacetohydrazide
CID 7478638
2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 7456554
N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617249
1-N',6-N'-bis[(4-ethoxyphenyl)sulfonyl]hexanedihydrazide
CID 3116496
N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide
CID 8614236
N'-(4-ethoxyphenyl)sulfonyl-2-phenylacetohydrazide
CID 7974595
N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23094970
3-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide
CID 9243942
2-(4-bromophenyl)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide
CID 7478651
4-ethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide
CID 8617267
N'-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)acetohydrazide
CID 7974521
2-(2-chloro-5-methylphenoxy)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide
CID 9244388

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N'-(4-ethoxyphenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N'-(4-ethoxyphenyl)sulfonylacetohydrazide (CID 9243979) is 2-(3,4-dimethylphenyl)sulfanyl-N'-(4-ethoxyphenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfanyl-N'-(4-ethoxyphenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfanyl-N'-(4-ethoxyphenyl)sulfonylacetohydrazide is CCOc1ccc(S(=O)(=O)NNC(=O)CSc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfanyl-N'-(4-ethoxyphenyl)sulfonylacetohydrazide?
The InChIKey is JICAIPMQNQXFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-4-24-15-6-9-17(10-7-15)26(22,23)20-19-18(21)12-25-16-8-5-13(2)14(3)11-16/h5-11,20H,4,12H2,1-3H3,(H,19,21).
What are the key properties of 2-(3,4-dimethylphenyl)sulfanyl-N'-(4-ethoxyphenyl)sulfonylacetohydrazide?
2-(3,4-dimethylphenyl)sulfanyl-N'-(4-ethoxyphenyl)sulfonylacetohydrazide has a molecular weight of 394.52 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfanyl-N'-(4-ethoxyphenyl)sulfonylacetohydrazide is sourced from PubChem (CID 9243979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).