N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide

C17H17ClN2O2S — CID 9475924

IUPACN'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)CSCc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O2S/c1-12-5-7-14(8-6-12)17(22)20-19-16(21)11-23-10-13-3-2-4-15(18)9-13/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyGVYMFYCKRLNGDX-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.34
Rot. Bonds5

About N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide

N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide (PubChem CID 9475924) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
PubChem CID9475924
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC NameN'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)CSCc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O2S/c1-12-5-7-14(8-6-12)17(22)20-19-16(21)11-23-10-13-3-2-4-15(18)9-13/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyGVYMFYCKRLNGDX-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

2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 875851
3-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26654520
N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
CID 9366100
2-[(3-chlorophenyl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 893713
2-[(3-chlorophenyl)methylsulfanyl]-N',N'-dimethylacetohydrazide
CID 9179466
N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-ethoxyphenoxy)acetohydrazide
CID 31307704
N'-(2-benzylsulfanylacetyl)-5-chloro-2-methoxybenzohydrazide
CID 7784836
N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27689068
2-[(3-chlorophenyl)methylsulfanyl]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 92675751
3-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]-4-methylbenzoate
CID 9322946
N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 2711464
N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide
CID 46651307

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide?
The IUPAC name of N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide (CID 9475924) is N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide.
What is the SMILES notation for N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide?
The canonical SMILES for N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)CSCc2cccc(Cl)c2)cc1.
What is the InChIKey of N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide?
The InChIKey is GVYMFYCKRLNGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-12-5-7-14(8-6-12)17(22)20-19-16(21)11-23-10-13-3-2-4-15(18)9-13/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide?
N'-[2-[(3-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-[(3-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide is sourced from PubChem (CID 9475924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).