N'-(2-benzylsulfanylacetyl)-5-chloro-2-methoxybenzohydrazide

C17H17ClN2O3S — CID 7784836

IUPACN'-(2-benzylsulfanylacetyl)-5-chloro-2-methoxybenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)CSCc1ccccc1
InChIInChI=1S/C17H17ClN2O3S/c1-23-15-8-7-13(18)9-14(15)17(22)20-19-16(21)11-24-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyDBCBPCZQLSPFKQ-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.04
Rot. Bonds6

About N'-(2-benzylsulfanylacetyl)-5-chloro-2-methoxybenzohydrazide

N'-(2-benzylsulfanylacetyl)-5-chloro-2-methoxybenzohydrazide (PubChem CID 7784836) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is N'-(2-benzylsulfanylacetyl)-5-chloro-2-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(2-benzylsulfanylacetyl)-5-chloro-2-methoxybenzohydrazide
PubChem CID7784836
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC NameN'-(2-benzylsulfanylacetyl)-5-chloro-2-methoxybenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)CSCc1ccccc1
InChIInChI=1S/C17H17ClN2O3S/c1-23-15-8-7-13(18)9-14(15)17(22)20-19-16(21)11-24-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyDBCBPCZQLSPFKQ-UHFFFAOYSA-N
XLogP3.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.04
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

5-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 2634898
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
5-chloro-2-methoxy-N'-(2-quinolin-2-ylsulfanylacetyl)benzohydrazide
CID 7754724
5-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24536002
5-chloro-2-methoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 2709916
5-chloro-N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-methoxybenzohydrazide
CID 9472212
5-chloro-N'-[3-(2-chlorophenyl)propanoyl]-2-methoxybenzohydrazide
CID 36915541
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
CID 9475924
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 4-methylpentanoate
CID 7848086
5-chloro-2-methoxy-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 2125835
2,6-dichloro-N'-(5-chloro-2-methoxybenzoyl)benzohydrazide
CID 78775260

Frequently Asked Questions

What is the IUPAC name of N'-(2-benzylsulfanylacetyl)-5-chloro-2-methoxybenzohydrazide?
The IUPAC name of N'-(2-benzylsulfanylacetyl)-5-chloro-2-methoxybenzohydrazide (CID 7784836) is N'-(2-benzylsulfanylacetyl)-5-chloro-2-methoxybenzohydrazide.
What is the SMILES notation for N'-(2-benzylsulfanylacetyl)-5-chloro-2-methoxybenzohydrazide?
The canonical SMILES for N'-(2-benzylsulfanylacetyl)-5-chloro-2-methoxybenzohydrazide is COc1ccc(Cl)cc1C(=O)NNC(=O)CSCc1ccccc1.
What is the InChIKey of N'-(2-benzylsulfanylacetyl)-5-chloro-2-methoxybenzohydrazide?
The InChIKey is DBCBPCZQLSPFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-23-15-8-7-13(18)9-14(15)17(22)20-19-16(21)11-24-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2-benzylsulfanylacetyl)-5-chloro-2-methoxybenzohydrazide?
N'-(2-benzylsulfanylacetyl)-5-chloro-2-methoxybenzohydrazide has a molecular weight of 364.85 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-benzylsulfanylacetyl)-5-chloro-2-methoxybenzohydrazide is sourced from PubChem (CID 7784836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).