N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-methylphenoxy)acetohydrazide

C17H16F2N2O3S — CID 9320723

IUPACN'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-methylphenoxy)acetohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)CSc1cc(F)ccc1F
InChIInChI=1S/C17H16F2N2O3S/c1-11-4-2-3-5-14(11)24-9-16(22)20-21-17(23)10-25-15-8-12(18)6-7-13(15)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyMDSODDGZTLAMCM-UHFFFAOYSA-N
MW366.39 g/mol
LogP2.59
Rot. Bonds6

About N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-methylphenoxy)acetohydrazide

N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-methylphenoxy)acetohydrazide (PubChem CID 9320723) has the molecular formula C17H16F2N2O3S and a molecular weight of 366.39 g/mol. Its IUPAC name is N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-methylphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-methylphenoxy)acetohydrazide
PubChem CID9320723
Molecular FormulaC17H16F2N2O3S
Molecular Weight366.39 g/mol
Exact Mass366.08
IUPAC NameN'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-methylphenoxy)acetohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)CSc1cc(F)ccc1F
InChIInChI=1S/C17H16F2N2O3S/c1-11-4-2-3-5-14(11)24-9-16(22)20-21-17(23)10-25-15-8-12(18)6-7-13(15)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyMDSODDGZTLAMCM-UHFFFAOYSA-N
XLogP2.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
CID 9428838
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide
CID 24641294
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide
CID 24641286
N-(2-amino-4-fluorophenyl)-2-(2-methylphenoxy)acetamide
CID 16792862
2-(3,5-dimethylphenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
CID 7969743
2-(2,6-dimethylphenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]acetohydrazide
CID 7910927
2-methoxy-N'-[2-(2-methylphenoxy)acetyl]-2-phenylacetohydrazide
CID 4166134
2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide
CID 9471875
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 7943429
2-(2-fluorophenoxy)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 94623553
N-(3-fluorophenyl)-2-[[5-[(2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4803483
2-(2,5-difluorophenyl)sulfanyl-N'-methyl-N'-phenylacetohydrazide
CID 9480197

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-methylphenoxy)acetohydrazide?
The IUPAC name of N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-methylphenoxy)acetohydrazide (CID 9320723) is N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-methylphenoxy)acetohydrazide.
What is the SMILES notation for N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-methylphenoxy)acetohydrazide?
The canonical SMILES for N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-methylphenoxy)acetohydrazide is Cc1ccccc1OCC(=O)NNC(=O)CSc1cc(F)ccc1F.
What is the InChIKey of N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-methylphenoxy)acetohydrazide?
The InChIKey is MDSODDGZTLAMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3S/c1-11-4-2-3-5-14(11)24-9-16(22)20-21-17(23)10-25-15-8-12(18)6-7-13(15)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-methylphenoxy)acetohydrazide?
N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-methylphenoxy)acetohydrazide has a molecular weight of 366.39 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-methylphenoxy)acetohydrazide is sourced from PubChem (CID 9320723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).