N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(3-methoxyphenyl)acetohydrazide

C17H17FN2O3S — CID 18162327

IUPACN'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(3-methoxyphenyl)acetohydrazide
SMILESCOc1cccc(CC(=O)NNC(=O)CSc2ccccc2F)c1
InChIInChI=1S/C17H17FN2O3S/c1-23-13-6-4-5-12(9-13)10-16(21)19-20-17(22)11-24-15-8-3-2-7-14(15)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyGQDHCJYKVOCZIX-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.32
Rot. Bonds6

About N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(3-methoxyphenyl)acetohydrazide

N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(3-methoxyphenyl)acetohydrazide (PubChem CID 18162327) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(3-methoxyphenyl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(3-methoxyphenyl)acetohydrazide
PubChem CID18162327
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(3-methoxyphenyl)acetohydrazide
SMILESCOc1cccc(CC(=O)NNC(=O)CSc2ccccc2F)c1
InChIInChI=1S/C17H17FN2O3S/c1-23-13-6-4-5-12(9-13)10-16(21)19-20-17(22)11-24-15-8-3-2-7-14(15)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyGQDHCJYKVOCZIX-UHFFFAOYSA-N
XLogP2.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.32
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-(2-fluorophenyl)sulfanylacetyl]-2,4-dimethoxybenzohydrazide
CID 9418010
1-(3-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66093415
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-methoxyphenyl)propanehydrazide
CID 9417849
2-(3,5-dimethylphenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
CID 7969743
2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone
CID 79217516
(7-methoxynaphthalen-2-yl) 2-(2-fluorophenyl)sulfanylacetate
CID 32996649
N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114310600
2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 51289830
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)acetamide
CID 110888834
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799670

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(3-methoxyphenyl)acetohydrazide?
The IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(3-methoxyphenyl)acetohydrazide (CID 18162327) is N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(3-methoxyphenyl)acetohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(3-methoxyphenyl)acetohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(3-methoxyphenyl)acetohydrazide is COc1cccc(CC(=O)NNC(=O)CSc2ccccc2F)c1.
What is the InChIKey of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(3-methoxyphenyl)acetohydrazide?
The InChIKey is GQDHCJYKVOCZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-23-13-6-4-5-12(9-13)10-16(21)19-20-17(22)11-24-15-8-3-2-7-14(15)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(3-methoxyphenyl)acetohydrazide?
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(3-methoxyphenyl)acetohydrazide has a molecular weight of 348.40 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(3-methoxyphenyl)acetohydrazide is sourced from PubChem (CID 18162327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).