N'-(4-ethoxybenzoyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzohydrazide

C20H20N4O4S — CID 36897572

IUPACN'-(4-ethoxybenzoyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccccc2SCc2noc(C)n2)cc1
InChIInChI=1S/C20H20N4O4S/c1-3-27-15-10-8-14(9-11-15)19(25)22-23-20(26)16-6-4-5-7-17(16)29-12-18-21-13(2)28-24-18/h4-11H,3,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyCDCUQNIDPMICHT-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.14
Rot. Bonds7

About N'-(4-ethoxybenzoyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzohydrazide

N'-(4-ethoxybenzoyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzohydrazide (PubChem CID 36897572) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is N'-(4-ethoxybenzoyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxybenzoyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzohydrazide
PubChem CID36897572
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC NameN'-(4-ethoxybenzoyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccccc2SCc2noc(C)n2)cc1
InChIInChI=1S/C20H20N4O4S/c1-3-27-15-10-8-14(9-11-15)19(25)22-23-20(26)16-6-4-5-7-17(16)29-12-18-21-13(2)28-24-18/h4-11H,3,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyCDCUQNIDPMICHT-UHFFFAOYSA-N
XLogP3.14
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[[4-(phenoxymethyl)phenyl]methyl]benzamide
CID 39509186
N-(4-ethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 18154994
N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 55543102
N-(4-bromophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 46530867
methyl 4-fluoro-3-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzoyl]amino]benzoate
CID 33027111
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 37095800
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 42941720
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(2-methyl-2-phenylpropyl)benzamide
CID 39702738
N-[2-(tert-butylamino)-2-oxoethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 134025623
N-(4-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 46549403
1-[4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone
CID 36708662
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 46552087

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxybenzoyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzohydrazide?
The IUPAC name of N'-(4-ethoxybenzoyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzohydrazide (CID 36897572) is N'-(4-ethoxybenzoyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzohydrazide.
What is the SMILES notation for N'-(4-ethoxybenzoyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzohydrazide?
The canonical SMILES for N'-(4-ethoxybenzoyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzohydrazide is CCOc1ccc(C(=O)NNC(=O)c2ccccc2SCc2noc(C)n2)cc1.
What is the InChIKey of N'-(4-ethoxybenzoyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzohydrazide?
The InChIKey is CDCUQNIDPMICHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-3-27-15-10-8-14(9-11-15)19(25)22-23-20(26)16-6-4-5-7-17(16)29-12-18-21-13(2)28-24-18/h4-11H,3,12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N'-(4-ethoxybenzoyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzohydrazide?
N'-(4-ethoxybenzoyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzohydrazide has a molecular weight of 412.47 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxybenzoyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzohydrazide is sourced from PubChem (CID 36897572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).