(E)-3-(4-cyanophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide

C18H14FN3O2S — CID 24641261

IUPAC(E)-3-(4-cyanophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide
SMILESN#Cc1ccc(/C=C/C(=O)NNC(=O)CSc2ccccc2F)cc1
InChIInChI=1S/C18H14FN3O2S/c19-15-3-1-2-4-16(15)25-12-18(24)22-21-17(23)10-9-13-5-7-14(11-20)8-6-13/h1-10H,12H2,(H,21,23)(H,22,24)/b10-9+
InChIKeySLJZIVVRVDDNPA-MDZDMXLPSA-N
MW355.39 g/mol
LogP2.65
Rot. Bonds5

About (E)-3-(4-cyanophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide

(E)-3-(4-cyanophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide (PubChem CID 24641261) has the molecular formula C18H14FN3O2S and a molecular weight of 355.39 g/mol. Its IUPAC name is (E)-3-(4-cyanophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(4-cyanophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide
PubChem CID24641261
Molecular FormulaC18H14FN3O2S
Molecular Weight355.39 g/mol
Exact Mass355.08
IUPAC Name(E)-3-(4-cyanophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide
SMILESN#Cc1ccc(/C=C/C(=O)NNC(=O)CSc2ccccc2F)cc1
InChIInChI=1S/C18H14FN3O2S/c19-15-3-1-2-4-16(15)25-12-18(24)22-21-17(23)10-9-13-5-7-14(11-20)8-6-13/h1-10H,12H2,(H,21,23)(H,22,24)/b10-9+
InChIKeySLJZIVVRVDDNPA-MDZDMXLPSA-N
XLogP2.65
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide
CID 9157138
3-(4-cyanophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 71904483
(E)-N'-[2-(4-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 9140747
2-cyano-N'-(3-phenylprop-2-enoyl)acetohydrazide
CID 582984
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide
CID 9418013
N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide
CID 4612064
(E)-3-(4-fluorophenyl)-N'-(2-phenylacetyl)prop-2-enehydrazide
CID 923626
(E)-3-(4-ethoxyphenyl)-N'-[2-(2-fluorophenoxy)acetyl]prop-2-enehydrazide
CID 9471919
(E)-N-(4-cyanophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 26289833
4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 2591603
3-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]amino]propanoic acid
CID 43240526
N'-[2-(2-fluorophenyl)sulfanylacetyl]furan-3-carbohydrazide
CID 27006547

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-cyanophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide?
The IUPAC name of (E)-3-(4-cyanophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide (CID 24641261) is (E)-3-(4-cyanophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(4-cyanophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide?
The canonical SMILES for (E)-3-(4-cyanophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide is N#Cc1ccc(/C=C/C(=O)NNC(=O)CSc2ccccc2F)cc1.
What is the InChIKey of (E)-3-(4-cyanophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide?
The InChIKey is SLJZIVVRVDDNPA-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H14FN3O2S/c19-15-3-1-2-4-16(15)25-12-18(24)22-21-17(23)10-9-13-5-7-14(11-20)8-6-13/h1-10H,12H2,(H,21,23)(H,22,24)/b10-9+.
What are the key properties of (E)-3-(4-cyanophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide?
(E)-3-(4-cyanophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide has a molecular weight of 355.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-cyanophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide is sourced from PubChem (CID 24641261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).