N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-methylbenzohydrazide

C16H15FN2O2S — CID 7479562

IUPACN'-[2-(4-fluorophenyl)sulfanylacetyl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)CSc2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FN2O2S/c1-11-2-4-12(5-3-11)16(21)19-18-15(20)10-22-14-8-6-13(17)7-9-14/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyFCNQOFZUCMPPDE-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.69
Rot. Bonds4

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

N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-methylbenzohydrazide (PubChem CID 7479562) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)sulfanylacetyl]-4-methylbenzohydrazide
PubChem CID7479562
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC NameN'-[2-(4-fluorophenyl)sulfanylacetyl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)CSc2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FN2O2S/c1-11-2-4-12(5-3-11)16(21)19-18-15(20)10-22-14-8-6-13(17)7-9-14/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyFCNQOFZUCMPPDE-UHFFFAOYSA-N
XLogP2.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.69
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'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide
CID 7970067
3,5-difluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 24642949
4-fluoro-N-[3-methyl-1-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 18282748
4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]carbamoyl]benzenesulfonamide
CID 24642899
2-bromo-5-fluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 9157672
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19629433
3,5-dimethoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 26616798
N'-acetyl-2-(4-methylphenyl)sulfanylacetohydrazide
CID 17394299
4-(difluoromethoxy)-3-methoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 7970230
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 977302
4-fluoro-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]benzamide
CID 55893772

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-methylbenzohydrazide?
The IUPAC name of N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-methylbenzohydrazide (CID 7479562) is N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-methylbenzohydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-methylbenzohydrazide?
The canonical SMILES for N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-methylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)CSc2ccc(F)cc2)cc1.
What is the InChIKey of N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-methylbenzohydrazide?
The InChIKey is FCNQOFZUCMPPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c1-11-2-4-12(5-3-11)16(21)19-18-15(20)10-22-14-8-6-13(17)7-9-14/h2-9H,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-methylbenzohydrazide?
N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-methylbenzohydrazide has a molecular weight of 318.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-methylbenzohydrazide is sourced from PubChem (CID 7479562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).