N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-phenylphenoxy)acetohydrazide

C24H23N5O4S — CID 4790941

IUPACN'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-phenylphenoxy)acetohydrazide
SMILESCCn1c(SCC(=O)NNC(=O)COc2ccccc2-c2ccccc2)nnc1-c1ccco1
InChIInChI=1S/C24H23N5O4S/c1-2-29-23(20-13-8-14-32-20)27-28-24(29)34-16-22(31)26-25-21(30)15-33-19-12-7-6-11-18(19)17-9-4-3-5-10-17/h3-14H,2,15-16H2,1H3,(H,25,30)(H,26,31)
InChIKeyZNIKNCJXIJFVIL-UHFFFAOYSA-N
MW477.55 g/mol
LogP3.54
Rot. Bonds9

About N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-phenylphenoxy)acetohydrazide

N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-phenylphenoxy)acetohydrazide (PubChem CID 4790941) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-phenylphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-phenylphenoxy)acetohydrazide
PubChem CID4790941
Molecular FormulaC24H23N5O4S
Molecular Weight477.55 g/mol
Exact Mass477.15
IUPAC NameN'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-phenylphenoxy)acetohydrazide
SMILESCCn1c(SCC(=O)NNC(=O)COc2ccccc2-c2ccccc2)nnc1-c1ccco1
InChIInChI=1S/C24H23N5O4S/c1-2-29-23(20-13-8-14-32-20)27-28-24(29)34-16-22(31)26-25-21(30)15-33-19-12-7-6-11-18(19)17-9-4-3-5-10-17/h3-14H,2,15-16H2,1H3,(H,25,30)(H,26,31)
InChIKeyZNIKNCJXIJFVIL-UHFFFAOYSA-N
XLogP3.54
TPSA111.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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9H-fluoren-9-yl 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 7359452
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CID 653463
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CID 9483010
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CID 4789700
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylbutan-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-phenylphenoxy)acetohydrazide?
The IUPAC name of N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-phenylphenoxy)acetohydrazide (CID 4790941) is N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-phenylphenoxy)acetohydrazide.
What is the SMILES notation for N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-phenylphenoxy)acetohydrazide?
The canonical SMILES for N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-phenylphenoxy)acetohydrazide is CCn1c(SCC(=O)NNC(=O)COc2ccccc2-c2ccccc2)nnc1-c1ccco1.
What is the InChIKey of N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-phenylphenoxy)acetohydrazide?
The InChIKey is ZNIKNCJXIJFVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-2-29-23(20-13-8-14-32-20)27-28-24(29)34-16-22(31)26-25-21(30)15-33-19-12-7-6-11-18(19)17-9-4-3-5-10-17/h3-14H,2,15-16H2,1H3,(H,25,30)(H,26,31).
What are the key properties of N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-phenylphenoxy)acetohydrazide?
N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-phenylphenoxy)acetohydrazide has a molecular weight of 477.55 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-phenylphenoxy)acetohydrazide is sourced from PubChem (CID 4790941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).