2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N',N'-diphenylacetohydrazide

C22H20N6OS — CID 3369531

IUPAC2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N',N'-diphenylacetohydrazide
SMILESCc1ccccc1-n1nnnc1SCC(=O)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N6OS/c1-17-10-8-9-15-20(17)28-22(23-25-26-28)30-16-21(29)24-27(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-15H,16H2,1H3,(H,24,29)
InChIKeyZSCAQLLSHSHJNK-UHFFFAOYSA-N
MW416.51 g/mol
LogP3.93
Rot. Bonds7

About 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N',N'-diphenylacetohydrazide

2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N',N'-diphenylacetohydrazide (PubChem CID 3369531) has the molecular formula C22H20N6OS and a molecular weight of 416.51 g/mol. Its IUPAC name is 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N',N'-diphenylacetohydrazide.

Molecular Properties

Compound Name2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N',N'-diphenylacetohydrazide
PubChem CID3369531
Molecular FormulaC22H20N6OS
Molecular Weight416.51 g/mol
Exact Mass416.14
IUPAC Name2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N',N'-diphenylacetohydrazide
SMILESCc1ccccc1-n1nnnc1SCC(=O)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N6OS/c1-17-10-8-9-15-20(17)28-22(23-25-26-28)30-16-21(29)24-27(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-15H,16H2,1H3,(H,24,29)
InChIKeyZSCAQLLSHSHJNK-UHFFFAOYSA-N
XLogP3.93
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2420493
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 27015628
N-(2-ethylphenyl)-2-[[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide
CID 8686214
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 7647417
N-[2-(2-fluorophenyl)ethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8686311
N-(3,5-dimethylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5137050
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7647392
N-cyclohexyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2986131
3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 3503382
N-(2,6-dibromo-4-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2388271
N-[2,6-di(propan-2-yl)phenyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2419707
N-(4-hydroxy-3-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5234701

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N',N'-diphenylacetohydrazide?
The IUPAC name of 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N',N'-diphenylacetohydrazide (CID 3369531) is 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N',N'-diphenylacetohydrazide.
What is the SMILES notation for 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N',N'-diphenylacetohydrazide?
The canonical SMILES for 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N',N'-diphenylacetohydrazide is Cc1ccccc1-n1nnnc1SCC(=O)NN(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N',N'-diphenylacetohydrazide?
The InChIKey is ZSCAQLLSHSHJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6OS/c1-17-10-8-9-15-20(17)28-22(23-25-26-28)30-16-21(29)24-27(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-15H,16H2,1H3,(H,24,29).
What are the key properties of 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N',N'-diphenylacetohydrazide?
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N',N'-diphenylacetohydrazide has a molecular weight of 416.51 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N',N'-diphenylacetohydrazide is sourced from PubChem (CID 3369531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).