(E)-N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide

C19H18FN3O3S — CID 9417918

IUPAC(E)-N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCC(=O)NNC(=O)CSc1ccccc1F
InChIInChI=1S/C19H18FN3O3S/c20-15-8-4-5-9-16(15)27-13-19(26)23-22-18(25)12-21-17(24)11-10-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,21,24)(H,22,25)(H,23,26)/b11-10+
InChIKeyQUWXIWRDDFYBBI-ZHACJKMWSA-N
MW387.44 g/mol
LogP1.89
Rot. Bonds7

About (E)-N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide

(E)-N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide (PubChem CID 9417918) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is (E)-N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
PubChem CID9417918
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name(E)-N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCC(=O)NNC(=O)CSc1ccccc1F
InChIInChI=1S/C19H18FN3O3S/c20-15-8-4-5-9-16(15)27-13-19(26)23-22-18(25)12-21-17(24)11-10-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,21,24)(H,22,25)(H,23,26)/b11-10+
InChIKeyQUWXIWRDDFYBBI-ZHACJKMWSA-N
XLogP1.89
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.89
H-Bond Donors ≤ 53
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

2-fluoro-N-[2-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 4789961
N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide
CID 4792629
(2E)-3-(4-fluorophenyl)-N-[2-(phenylsulfanyl)ethyl]prop-2-enamide
CID 2278821
N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-phenylsulfanylpropanamide
CID 2080844
N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-phenylsulfanylacetamide
CID 2495245
N-[2-[(5E)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-phenylsulfanylacetamide
CID 2495248
3-(4-fluorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide
CID 2896429
N-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-phenylsulfanylpropanamide
CID 4534531
N-[2-[5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-phenylsulfanylacetamide
CID 4815781
N-[2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 4819839
N-[2-[5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 4820291
N-[2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 5124847

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide (CID 9417918) is (E)-N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCC(=O)NNC(=O)CSc1ccccc1F.
What is the InChIKey of (E)-N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide?
The InChIKey is QUWXIWRDDFYBBI-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c20-15-8-4-5-9-16(15)27-13-19(26)23-22-18(25)12-21-17(24)11-10-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,21,24)(H,22,25)(H,23,26)/b11-10+.
What are the key properties of (E)-N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide?
(E)-N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide has a molecular weight of 387.44 g/mol, XLogP of 1.89, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 9417918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).