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

C16H16N6O5S — CID 3189435

IUPACN'-[2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
SMILESCOc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccco2)c(OC)c1
InChIInChI=1S/C16H16N6O5S/c1-25-10-5-6-11(13(8-10)26-2)22-16(19-20-21-22)28-9-14(23)17-18-15(24)12-4-3-7-27-12/h3-8H,9H2,1-2H3,(H,17,23)(H,18,24)
InChIKeyULUSNEQGTBUQAU-UHFFFAOYSA-N
MW404.41 g/mol
LogP0.83
Rot. Bonds7

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

N'-[2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide (PubChem CID 3189435) has the molecular formula C16H16N6O5S and a molecular weight of 404.41 g/mol. Its IUPAC name is N'-[2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
PubChem CID3189435
Molecular FormulaC16H16N6O5S
Molecular Weight404.41 g/mol
Exact Mass404.09
IUPAC NameN'-[2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
SMILESCOc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccco2)c(OC)c1
InChIInChI=1S/C16H16N6O5S/c1-25-10-5-6-11(13(8-10)26-2)22-16(19-20-21-22)28-9-14(23)17-18-15(24)12-4-3-7-27-12/h3-8H,9H2,1-2H3,(H,17,23)(H,18,24)
InChIKeyULUSNEQGTBUQAU-UHFFFAOYSA-N
XLogP0.83
TPSA133.40 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
CID 7646637
N'-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
CID 8658930
2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 1175477
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1175500
2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 1175435
2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 1175482
N'-[2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
CID 9360183
N-(2,4-dimethoxyphenyl)-2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1175422
2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 1175418
2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 1175496
5-chloro-2-methoxy-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
CID 16539064
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 7455398

Frequently Asked Questions

What is the IUPAC name of N'-[2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide (CID 3189435) is N'-[2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide is COc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccco2)c(OC)c1.
What is the InChIKey of N'-[2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide?
The InChIKey is ULUSNEQGTBUQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O5S/c1-25-10-5-6-11(13(8-10)26-2)22-16(19-20-21-22)28-9-14(23)17-18-15(24)12-4-3-7-27-12/h3-8H,9H2,1-2H3,(H,17,23)(H,18,24).
What are the key properties of N'-[2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide?
N'-[2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide has a molecular weight of 404.41 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide is sourced from PubChem (CID 3189435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).