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

C20H21N7O3S — CID 4789700

IUPACN'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(1-methylbenzimidazol-2-yl)acetohydrazide
SMILESCCn1c(SCC(=O)NNC(=O)Cc2nc3ccccc3n2C)nnc1-c1ccco1
InChIInChI=1S/C20H21N7O3S/c1-3-27-19(15-9-6-10-30-15)24-25-20(27)31-12-18(29)23-22-17(28)11-16-21-13-7-4-5-8-14(13)26(16)2/h4-10H,3,11-12H2,1-2H3,(H,22,28)(H,23,29)
InChIKeyXTBGJOSBSOVYTD-UHFFFAOYSA-N
MW439.50 g/mol
LogP1.93
Rot. Bonds7

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

N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(1-methylbenzimidazol-2-yl)acetohydrazide (PubChem CID 4789700) has the molecular formula C20H21N7O3S and a molecular weight of 439.50 g/mol. Its IUPAC name is N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(1-methylbenzimidazol-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(1-methylbenzimidazol-2-yl)acetohydrazide
PubChem CID4789700
Molecular FormulaC20H21N7O3S
Molecular Weight439.50 g/mol
Exact Mass439.14
IUPAC NameN'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(1-methylbenzimidazol-2-yl)acetohydrazide
SMILESCCn1c(SCC(=O)NNC(=O)Cc2nc3ccccc3n2C)nnc1-c1ccco1
InChIInChI=1S/C20H21N7O3S/c1-3-27-19(15-9-6-10-30-15)24-25-20(27)31-12-18(29)23-22-17(28)11-16-21-13-7-4-5-8-14(13)26(16)2/h4-10H,3,11-12H2,1-2H3,(H,22,28)(H,23,29)
InChIKeyXTBGJOSBSOVYTD-UHFFFAOYSA-N
XLogP1.93
TPSA119.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-phenylacetohydrazide
CID 18159501
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 3149091
2-[[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
CID 17378069
N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-phenylphenoxy)acetohydrazide
CID 4790941
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynylacetamide
CID 27929298
N-(4-acetamidophenyl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1071854
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylbutan-2-yl)acetamide
CID 4821918
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylsulfanylethyl)acetamide
CID 9483010
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 653463
N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-nitrophenoxy)acetohydrazide
CID 34060706
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methyl-1-phenylbutyl)acetamide
CID 43028321
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,2-oxazol-3-yl)acetamide
CID 17424886

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-(1-methylbenzimidazol-2-yl)acetohydrazide?
The IUPAC name of N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(1-methylbenzimidazol-2-yl)acetohydrazide (CID 4789700) is N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(1-methylbenzimidazol-2-yl)acetohydrazide.
What is the SMILES notation for N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(1-methylbenzimidazol-2-yl)acetohydrazide?
The canonical SMILES for N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(1-methylbenzimidazol-2-yl)acetohydrazide is CCn1c(SCC(=O)NNC(=O)Cc2nc3ccccc3n2C)nnc1-c1ccco1.
What is the InChIKey of N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(1-methylbenzimidazol-2-yl)acetohydrazide?
The InChIKey is XTBGJOSBSOVYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O3S/c1-3-27-19(15-9-6-10-30-15)24-25-20(27)31-12-18(29)23-22-17(28)11-16-21-13-7-4-5-8-14(13)26(16)2/h4-10H,3,11-12H2,1-2H3,(H,22,28)(H,23,29).
What are the key properties of N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(1-methylbenzimidazol-2-yl)acetohydrazide?
N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(1-methylbenzimidazol-2-yl)acetohydrazide has a molecular weight of 439.50 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 9 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-(1-methylbenzimidazol-2-yl)acetohydrazide is sourced from PubChem (CID 4789700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).