4-hydroxy-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]benzohydrazide

C20H18N2O3S — CID 21108830

IUPAC4-hydroxy-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]benzohydrazide
SMILESO=C(CSCc1cccc2ccccc12)NNC(=O)c1ccc(O)cc1
InChIInChI=1S/C20H18N2O3S/c23-17-10-8-15(9-11-17)20(25)22-21-19(24)13-26-12-16-6-3-5-14-4-1-2-7-18(14)16/h1-11,23H,12-13H2,(H,21,24)(H,22,25)
InChIKeyAKWXTAZXTMPCJW-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.24
Rot. Bonds5

About 4-hydroxy-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]benzohydrazide

4-hydroxy-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]benzohydrazide (PubChem CID 21108830) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 4-hydroxy-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-hydroxy-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]benzohydrazide
PubChem CID21108830
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name4-hydroxy-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]benzohydrazide
SMILESO=C(CSCc1cccc2ccccc12)NNC(=O)c1ccc(O)cc1
InChIInChI=1S/C20H18N2O3S/c23-17-10-8-15(9-11-17)20(25)22-21-19(24)13-26-12-16-6-3-5-14-4-1-2-7-18(14)16/h1-11,23H,12-13H2,(H,21,24)(H,22,25)
InChIKeyAKWXTAZXTMPCJW-UHFFFAOYSA-N
XLogP3.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.24
H-Bond Donors ≤ 53
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-chlorophenyl)methylsulfanyl]acetyl]benzohydrazide
CID 2221364
N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-fluorobenzohydrazide
CID 9037919
N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
CID 9366100
4-chloro-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 3396166
N-(2-methylpropyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 134058118
N'-(2-naphthalen-1-ylacetyl)pyridine-4-carbohydrazide
CID 4807892
N-(cyclopropylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 47320973
N-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 31087778
methyl 3-methyl-4-[[2-(naphthalen-1-ylmethylsulfanyl)acetyl]amino]benzoate
CID 17360507
2-(naphthalen-1-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide
CID 60542543
1-(4-butylphenyl)-3-[[2-(naphthalen-1-ylmethylsulfanyl)acetyl]amino]thiourea
CID 2728146
3,5-dimethyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 42386156

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]benzohydrazide?
The IUPAC name of 4-hydroxy-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]benzohydrazide (CID 21108830) is 4-hydroxy-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]benzohydrazide.
What is the SMILES notation for 4-hydroxy-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]benzohydrazide?
The canonical SMILES for 4-hydroxy-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]benzohydrazide is O=C(CSCc1cccc2ccccc12)NNC(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]benzohydrazide?
The InChIKey is AKWXTAZXTMPCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c23-17-10-8-15(9-11-17)20(25)22-21-19(24)13-26-12-16-6-3-5-14-4-1-2-7-18(14)16/h1-11,23H,12-13H2,(H,21,24)(H,22,25).
What are the key properties of 4-hydroxy-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]benzohydrazide?
4-hydroxy-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]benzohydrazide has a molecular weight of 366.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]benzohydrazide is sourced from PubChem (CID 21108830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).