N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide

C17H17FN2O2S2 — CID 7970067

IUPACN'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide
SMILESCc1ccc(SCC(=O)NNC(=O)CSc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O2S2/c1-12-2-6-14(7-3-12)23-10-16(21)19-20-17(22)11-24-15-8-4-13(18)5-9-15/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyNQQXAEXLHMHWII-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.17
Rot. Bonds6

About N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide

N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide (PubChem CID 7970067) has the molecular formula C17H17FN2O2S2 and a molecular weight of 364.47 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide
PubChem CID7970067
Molecular FormulaC17H17FN2O2S2
Molecular Weight364.47 g/mol
Exact Mass364.07
IUPAC NameN'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide
SMILESCc1ccc(SCC(=O)NNC(=O)CSc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O2S2/c1-12-2-6-14(7-3-12)23-10-16(21)19-20-17(22)11-24-15-8-4-13(18)5-9-15/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyNQQXAEXLHMHWII-UHFFFAOYSA-N
XLogP3.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.17
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]-4-methylbenzohydrazide
CID 7479562
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
N'-acetyl-2-(4-methylphenyl)sulfanylacetohydrazide
CID 17394299
3,5-difluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 24642949
2-bromo-5-fluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 9157672
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 977302
4-fluoro-N-[3-methyl-1-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 18282748
2-(2,6-dimethylphenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]acetohydrazide
CID 7910927
tert-butyl N-[[2-(4-methylphenyl)sulfanylacetyl]amino]carbamate
CID 2219793
ethyl N-[2-(4-fluorophenyl)sulfanylacetyl]carbamate
CID 2635095
3-(4-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
CID 18273997
2-benzylsulfanyl-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide
CID 9418190

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide?
The IUPAC name of N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide (CID 7970067) is N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide?
The canonical SMILES for N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide is Cc1ccc(SCC(=O)NNC(=O)CSc2ccc(F)cc2)cc1.
What is the InChIKey of N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide?
The InChIKey is NQQXAEXLHMHWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2S2/c1-12-2-6-14(7-3-12)23-10-16(21)19-20-17(22)11-24-15-8-4-13(18)5-9-15/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide?
N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide has a molecular weight of 364.47 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide is sourced from PubChem (CID 7970067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).