N'-[2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide

C18H20N6O3S — CID 9360183

IUPACN'-[2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
SMILESCCCCc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccco2)cc1
InChIInChI=1S/C18H20N6O3S/c1-2-3-5-13-7-9-14(10-8-13)24-18(21-22-23-24)28-12-16(25)19-20-17(26)15-6-4-11-27-15/h4,6-11H,2-3,5,12H2,1H3,(H,19,25)(H,20,26)
InChIKeyGHVPNJUFFGQVKX-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.15
Rot. Bonds8

About N'-[2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide

N'-[2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide (PubChem CID 9360183) has the molecular formula C18H20N6O3S and a molecular weight of 400.46 g/mol. Its IUPAC name is N'-[2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
PubChem CID9360183
Molecular FormulaC18H20N6O3S
Molecular Weight400.46 g/mol
Exact Mass400.13
IUPAC NameN'-[2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
SMILESCCCCc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccco2)cc1
InChIInChI=1S/C18H20N6O3S/c1-2-3-5-13-7-9-14(10-8-13)24-18(21-22-23-24)28-12-16(25)19-20-17(26)15-6-4-11-27-15/h4,6-11H,2-3,5,12H2,1H3,(H,19,25)(H,20,26)
InChIKeyGHVPNJUFFGQVKX-UHFFFAOYSA-N
XLogP2.15
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.15
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

N'-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
CID 8658930
N'-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
CID 7646637
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 16535892
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 9360238
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide
CID 7455481
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 51306550
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 16535874
N'-[2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
CID 3189435
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 9360298
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 51287849
1-(4-butylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone
CID 7856915
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112780364

Frequently Asked Questions

What is the IUPAC name of N'-[2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide (CID 9360183) is N'-[2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide is CCCCc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccco2)cc1.
What is the InChIKey of N'-[2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide?
The InChIKey is GHVPNJUFFGQVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3S/c1-2-3-5-13-7-9-14(10-8-13)24-18(21-22-23-24)28-12-16(25)19-20-17(26)15-6-4-11-27-15/h4,6-11H,2-3,5,12H2,1H3,(H,19,25)(H,20,26).
What are the key properties of N'-[2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide?
N'-[2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide has a molecular weight of 400.46 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide is sourced from PubChem (CID 9360183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).