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

C19H19FN2O2S — CID 9157138

IUPAC(E)-3-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide
SMILESCCc1ccc(/C=C/C(=O)NNC(=O)CSc2ccccc2F)cc1
InChIInChI=1S/C19H19FN2O2S/c1-2-14-7-9-15(10-8-14)11-12-18(23)21-22-19(24)13-25-17-6-4-3-5-16(17)20/h3-12H,2,13H2,1H3,(H,21,23)(H,22,24)/b12-11+
InChIKeyPWSAZHLZKAUQLC-VAWYXSNFSA-N
MW358.44 g/mol
LogP3.34
Rot. Bonds6

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

(E)-3-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide (PubChem CID 9157138) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is (E)-3-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide
PubChem CID9157138
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC Name(E)-3-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide
SMILESCCc1ccc(/C=C/C(=O)NNC(=O)CSc2ccccc2F)cc1
InChIInChI=1S/C19H19FN2O2S/c1-2-14-7-9-15(10-8-14)11-12-18(23)21-22-19(24)13-25-17-6-4-3-5-16(17)20/h3-12H,2,13H2,1H3,(H,21,23)(H,22,24)/b12-11+
InChIKeyPWSAZHLZKAUQLC-VAWYXSNFSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide?
The IUPAC name of (E)-3-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide (CID 9157138) is (E)-3-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide?
The canonical SMILES for (E)-3-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide is CCc1ccc(/C=C/C(=O)NNC(=O)CSc2ccccc2F)cc1.
What is the InChIKey of (E)-3-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide?
The InChIKey is PWSAZHLZKAUQLC-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-2-14-7-9-15(10-8-14)11-12-18(23)21-22-19(24)13-25-17-6-4-3-5-16(17)20/h3-12H,2,13H2,1H3,(H,21,23)(H,22,24)/b12-11+.
What are the key properties of (E)-3-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide?
(E)-3-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide has a molecular weight of 358.44 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide is sourced from PubChem (CID 9157138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).