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

C19H22N2O3S — CID 9492725

IUPACN'-[2-(2,5-dimethylphenyl)sulfanylacetyl]-4-ethoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)CSc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H22N2O3S/c1-4-24-16-9-7-15(8-10-16)19(23)21-20-18(22)12-25-17-11-13(2)5-6-14(17)3/h5-11H,4,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyOAFRQEABYVKDQO-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.26
Rot. Bonds6

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

N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]-4-ethoxybenzohydrazide (PubChem CID 9492725) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]-4-ethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenyl)sulfanylacetyl]-4-ethoxybenzohydrazide
PubChem CID9492725
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN'-[2-(2,5-dimethylphenyl)sulfanylacetyl]-4-ethoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)CSc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H22N2O3S/c1-4-24-16-9-7-15(8-10-16)19(23)21-20-18(22)12-25-17-11-13(2)5-6-14(17)3/h5-11H,4,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyOAFRQEABYVKDQO-UHFFFAOYSA-N
XLogP3.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide
CID 26845933
N'-(4-ethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600016
N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]pyridine-3-carbohydrazide
CID 26641197
2-(2,5-dimethylphenyl)sulfanyl-N-(4-ethoxy-2-nitrophenyl)acetamide
CID 35986495
4-bromo-N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]-1H-pyrrole-2-carbohydrazide
CID 9255783
2-(2,5-dimethylphenyl)sulfanyl-N-[4-(4-fluorophenoxy)butyl]acetamide
CID 33108068
ethyl 4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanoate
CID 9086442
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide
CID 94843664
4-ethoxy-N'-[5-(4-methylphenyl)pentanoyl]benzohydrazide
CID 60602190
N'-(4-ethoxybenzoyl)-4-methyl-3-nitrobenzohydrazide
CID 26187335
4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049620
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-fluoro-4-methylbenzohydrazide
CID 9091295

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]-4-ethoxybenzohydrazide?
The IUPAC name of N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]-4-ethoxybenzohydrazide (CID 9492725) is N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]-4-ethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]-4-ethoxybenzohydrazide?
The canonical SMILES for N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]-4-ethoxybenzohydrazide is CCOc1ccc(C(=O)NNC(=O)CSc2cc(C)ccc2C)cc1.
What is the InChIKey of N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]-4-ethoxybenzohydrazide?
The InChIKey is OAFRQEABYVKDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-4-24-16-9-7-15(8-10-16)19(23)21-20-18(22)12-25-17-11-13(2)5-6-14(17)3/h5-11H,4,12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]-4-ethoxybenzohydrazide?
N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]-4-ethoxybenzohydrazide has a molecular weight of 358.46 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]-4-ethoxybenzohydrazide is sourced from PubChem (CID 9492725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).