N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide

C22H19FN2O2S — CID 9418013

IUPACN'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19FN2O2S/c23-18-13-7-8-14-19(18)28-15-20(26)24-25-22(27)21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21H,15H2,(H,24,26)(H,25,27)
InChIKeyRDCOABQHSPKOFJ-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.90
Rot. Bonds6

About N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide

N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide (PubChem CID 9418013) has the molecular formula C22H19FN2O2S and a molecular weight of 394.47 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide
PubChem CID9418013
Molecular FormulaC22H19FN2O2S
Molecular Weight394.47 g/mol
Exact Mass394.12
IUPAC NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19FN2O2S/c23-18-13-7-8-14-19(18)28-15-20(26)24-25-22(27)21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21H,15H2,(H,24,26)(H,25,27)
InChIKeyRDCOABQHSPKOFJ-UHFFFAOYSA-N
XLogP3.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 24641284
2-(2-fluorophenyl)sulfanyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103944451
1-N',6-N'-bis(2,2-diphenylacetyl)hexanedihydrazide
CID 3770806
2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43391360
2-(2-fluorophenyl)sulfanylacetic acid
CID 2740386
4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 2591603
N'-[2-(2-fluorophenyl)sulfanylacetyl]furan-3-carbohydrazide
CID 27006547
5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 9091331
(2S)-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-3-hydroxypropanoic acid
CID 61152911
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-methoxyphenyl)propanehydrazide
CID 9417849
2-(2-fluorophenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724258
2-(2-fluorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914295

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide?
The IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide (CID 9418013) is N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide is O=C(CSc1ccccc1F)NNC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide?
The InChIKey is RDCOABQHSPKOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2S/c23-18-13-7-8-14-19(18)28-15-20(26)24-25-22(27)21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21H,15H2,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide?
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide has a molecular weight of 394.47 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide is sourced from PubChem (CID 9418013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).