N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide

C17H17ClN2O2S — CID 9366100

IUPACN'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)CSCc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O2S/c1-12-6-8-13(9-7-12)17(22)20-19-16(21)11-23-10-14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeySGFRCBYOUIGPEW-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.34
Rot. Bonds5

About N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide

N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide (PubChem CID 9366100) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
PubChem CID9366100
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC NameN'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)CSCc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O2S/c1-12-6-8-13(9-7-12)17(22)20-19-16(21)11-23-10-14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeySGFRCBYOUIGPEW-UHFFFAOYSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.34
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

N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]benzohydrazide
CID 2221364
N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-fluorobenzohydrazide
CID 9037919
N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
CID 9475924
2-(2-chlorophenoxy)-N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]acetohydrazide
CID 9321185
4-hydroxy-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]benzohydrazide
CID 21108830
N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
CID 8637344
2-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9339469
N'-[3-(2-chlorophenyl)propanoyl]-4-phenylbenzohydrazide
CID 17179113
2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2897632
2-[(2-chlorophenyl)methylsulfanyl]-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 132652858
N-butan-2-yl-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 2889769
2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide?
The IUPAC name of N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide (CID 9366100) is N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide.
What is the SMILES notation for N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide?
The canonical SMILES for N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)CSCc2ccccc2Cl)cc1.
What is the InChIKey of N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide?
The InChIKey is SGFRCBYOUIGPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-12-6-8-13(9-7-12)17(22)20-19-16(21)11-23-10-14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide?
N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide has a molecular weight of 348.86 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide is sourced from PubChem (CID 9366100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).