2-(2,6-dimethylphenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]acetohydrazide

C18H19FN2O3S — CID 7910927

IUPAC2-(2,6-dimethylphenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]acetohydrazide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3S/c1-12-4-3-5-13(2)18(12)24-10-16(22)20-21-17(23)11-25-15-8-6-14(19)7-9-15/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyDMERQQDOCVXNGD-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.76
Rot. Bonds6

About 2-(2,6-dimethylphenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]acetohydrazide

2-(2,6-dimethylphenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]acetohydrazide (PubChem CID 7910927) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]acetohydrazide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]acetohydrazide
PubChem CID7910927
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name2-(2,6-dimethylphenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]acetohydrazide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3S/c1-12-4-3-5-13(2)18(12)24-10-16(22)20-21-17(23)11-25-15-8-6-14(19)7-9-15/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyDMERQQDOCVXNGD-UHFFFAOYSA-N
XLogP2.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.76
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

N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide
CID 7970067
2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
CID 776559
2-(2-chloro-4-fluorophenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide
CID 9428415
2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide
CID 116820679
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 2210337
N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-methylbenzohydrazide
CID 7479562
N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-methylphenoxy)acetohydrazide
CID 9320723
2-(2,6-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
CID 763872
2-(2,6-dimethylphenoxy)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
CID 5403335
N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
CID 4506280
(2S)-2-(2-fluorophenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]propanehydrazide
CID 7910833
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
CID 4503699

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]acetohydrazide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]acetohydrazide (CID 7910927) is 2-(2,6-dimethylphenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]acetohydrazide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]acetohydrazide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]acetohydrazide is Cc1cccc(C)c1OCC(=O)NNC(=O)CSc1ccc(F)cc1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]acetohydrazide?
The InChIKey is DMERQQDOCVXNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-12-4-3-5-13(2)18(12)24-10-16(22)20-21-17(23)11-25-15-8-6-14(19)7-9-15/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-(2,6-dimethylphenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]acetohydrazide?
2-(2,6-dimethylphenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]acetohydrazide has a molecular weight of 362.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]acetohydrazide is sourced from PubChem (CID 7910927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).