N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-(2-phenylphenoxy)acetohydrazide

C22H22N4O3S — CID 55350702

IUPACN'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-(2-phenylphenoxy)acetohydrazide
SMILESCc1cc(C)nc(SCC(=O)NNC(=O)COc2ccccc2-c2ccccc2)n1
InChIInChI=1S/C22H22N4O3S/c1-15-12-16(2)24-22(23-15)30-14-21(28)26-25-20(27)13-29-19-11-7-6-10-18(19)17-8-4-3-5-9-17/h3-12H,13-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyGFPASQHMFHYAPI-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.08
Rot. Bonds7

About N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-(2-phenylphenoxy)acetohydrazide

N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-(2-phenylphenoxy)acetohydrazide (PubChem CID 55350702) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-(2-phenylphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-(2-phenylphenoxy)acetohydrazide
PubChem CID55350702
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC NameN'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-(2-phenylphenoxy)acetohydrazide
SMILESCc1cc(C)nc(SCC(=O)NNC(=O)COc2ccccc2-c2ccccc2)n1
InChIInChI=1S/C22H22N4O3S/c1-15-12-16(2)24-22(23-15)30-14-21(28)26-25-20(27)13-29-19-11-7-6-10-18(19)17-8-4-3-5-9-17/h3-12H,13-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyGFPASQHMFHYAPI-UHFFFAOYSA-N
XLogP3.08
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide
CID 5143466
5-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazine-2-carbohydrazide
CID 2712895
1,5-dimethyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-3-carbohydrazide
CID 60527876
3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
CID 9470420
5-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1H-pyrazole-3-carbohydrazide
CID 60520861
3-ethylsulfanyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 55786556
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-phenylphenoxy)acetohydrazide
CID 4790941
4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 26901799
2-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide
CID 51140256

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-(2-phenylphenoxy)acetohydrazide?
The IUPAC name of N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-(2-phenylphenoxy)acetohydrazide (CID 55350702) is N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-(2-phenylphenoxy)acetohydrazide.
What is the SMILES notation for N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-(2-phenylphenoxy)acetohydrazide?
The canonical SMILES for N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-(2-phenylphenoxy)acetohydrazide is Cc1cc(C)nc(SCC(=O)NNC(=O)COc2ccccc2-c2ccccc2)n1.
What is the InChIKey of N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-(2-phenylphenoxy)acetohydrazide?
The InChIKey is GFPASQHMFHYAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-15-12-16(2)24-22(23-15)30-14-21(28)26-25-20(27)13-29-19-11-7-6-10-18(19)17-8-4-3-5-9-17/h3-12H,13-14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-(2-phenylphenoxy)acetohydrazide?
N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-(2-phenylphenoxy)acetohydrazide has a molecular weight of 422.51 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-(2-phenylphenoxy)acetohydrazide is sourced from PubChem (CID 55350702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).