(E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide

C19H19FN2O4S — CID 6245900

IUPAC(E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H19FN2O4S/c20-16-7-4-15(5-8-16)6-9-19(23)21-17-2-1-3-18(14-17)27(24,25)22-10-12-26-13-11-22/h1-9,14H,10-13H2,(H,21,23)/b9-6+
InChIKeyYYUVANJMKLCELL-RMKNXTFCSA-N
MW390.44 g/mol
LogP2.50
Rot. Bonds5

About (E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide

(E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide (PubChem CID 6245900) has the molecular formula C19H19FN2O4S and a molecular weight of 390.44 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
PubChem CID6245900
Molecular FormulaC19H19FN2O4S
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC Name(E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H19FN2O4S/c20-16-7-4-15(5-8-16)6-9-19(23)21-17-2-1-3-18(14-17)27(24,25)22-10-12-26-13-11-22/h1-9,14H,10-13H2,(H,21,23)/b9-6+
InChIKeyYYUVANJMKLCELL-RMKNXTFCSA-N
XLogP2.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide (CID 6245900) is (E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is YYUVANJMKLCELL-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H19FN2O4S/c20-16-7-4-15(5-8-16)6-9-19(23)21-17-2-1-3-18(14-17)27(24,25)22-10-12-26-13-11-22/h1-9,14H,10-13H2,(H,21,23)/b9-6+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 390.44 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 6245900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).