N'-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide

C16H16N6O2S — CID 20678328

IUPACN'-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide
SMILESCOc1ccccc1NNC(=O)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C16H16N6O2S/c1-24-14-10-6-5-9-13(14)17-18-15(23)11-25-16-19-20-21-22(16)12-7-3-2-4-8-12/h2-10,17H,11H2,1H3,(H,18,23)
InChIKeyGIUBUCAJTMBPOL-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.91
Rot. Bonds7

About N'-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide

N'-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide (PubChem CID 20678328) has the molecular formula C16H16N6O2S and a molecular weight of 356.41 g/mol. Its IUPAC name is N'-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide.

Molecular Properties

Compound NameN'-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide
PubChem CID20678328
Molecular FormulaC16H16N6O2S
Molecular Weight356.41 g/mol
Exact Mass356.11
IUPAC NameN'-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide
SMILESCOc1ccccc1NNC(=O)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C16H16N6O2S/c1-24-14-10-6-5-9-13(14)17-18-15(23)11-25-16-19-20-21-22(16)12-7-3-2-4-8-12/h2-10,17H,11H2,1H3,(H,18,23)
InChIKeyGIUBUCAJTMBPOL-UHFFFAOYSA-N
XLogP1.91
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.91
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

2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 1455235
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
N-(2-methoxyphenyl)-2-[5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 4965395
potassium 2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate
CID 44889777
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 78761375
N-[2-(2-methoxyphenoxy)ethyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8682552
2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 1175418
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 3907728
N-(2-methoxy-5-methylphenyl)-2-[[2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide
CID 31126878
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 864272
N-(2-methoxyphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 1452360
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-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide?
The IUPAC name of N'-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide (CID 20678328) is N'-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide.
What is the SMILES notation for N'-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide?
The canonical SMILES for N'-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide is COc1ccccc1NNC(=O)CSc1nnnn1-c1ccccc1.
What is the InChIKey of N'-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide?
The InChIKey is GIUBUCAJTMBPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2S/c1-24-14-10-6-5-9-13(14)17-18-15(23)11-25-16-19-20-21-22(16)12-7-3-2-4-8-12/h2-10,17H,11H2,1H3,(H,18,23).
What are the key properties of N'-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide?
N'-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide has a molecular weight of 356.41 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide is sourced from PubChem (CID 20678328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).