N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]benzohydrazide

C17H18N2O2S — CID 2708508

IUPACN'-[2-(3,4-dimethylphenyl)sulfanylacetyl]benzohydrazide
SMILESCc1ccc(SCC(=O)NNC(=O)c2ccccc2)cc1C
InChIInChI=1S/C17H18N2O2S/c1-12-8-9-15(10-13(12)2)22-11-16(20)18-19-17(21)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyPVSNWDMQSZDEOX-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.86
Rot. Bonds4

About N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]benzohydrazide

N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]benzohydrazide (PubChem CID 2708508) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-dimethylphenyl)sulfanylacetyl]benzohydrazide
PubChem CID2708508
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN'-[2-(3,4-dimethylphenyl)sulfanylacetyl]benzohydrazide
SMILESCc1ccc(SCC(=O)NNC(=O)c2ccccc2)cc1C
InChIInChI=1S/C17H18N2O2S/c1-12-8-9-15(10-13(12)2)22-11-16(20)18-19-17(21)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyPVSNWDMQSZDEOX-UHFFFAOYSA-N
XLogP2.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 7352537
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide
CID 2606684
3,4-dimethoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide
CID 3283240
N-(3-acetylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2591501
2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 8633805
N'-[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]benzohydrazide
CID 16531890
2-(3,4-dimethylphenyl)sulfanyl-N-(2-phenoxyethyl)acetamide
CID 26579562
N-(2-chlorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2708525
N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 672788
N-(2-cyanophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2708526
N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-methylbenzohydrazide
CID 7479562
2-(3,4-dimethylphenyl)sulfanyl-N-prop-2-ynylacetamide
CID 26579620

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]benzohydrazide?
The IUPAC name of N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]benzohydrazide (CID 2708508) is N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]benzohydrazide.
What is the SMILES notation for N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]benzohydrazide?
The canonical SMILES for N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]benzohydrazide is Cc1ccc(SCC(=O)NNC(=O)c2ccccc2)cc1C.
What is the InChIKey of N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]benzohydrazide?
The InChIKey is PVSNWDMQSZDEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-12-8-9-15(10-13(12)2)22-11-16(20)18-19-17(21)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]benzohydrazide?
N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]benzohydrazide has a molecular weight of 314.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 2708508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).