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

C17H18N2O5S — CID 1326115

IUPAC(E)-3-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H18N2O5S/c20-17(8-5-15-2-1-11-24-15)18-14-3-6-16(7-4-14)25(21,22)19-9-12-23-13-10-19/h1-8,11H,9-10,12-13H2,(H,18,20)/b8-5+
InChIKeyGMLVKTZLFVDMAG-VMPITWQZSA-N
MW362.41 g/mol
LogP1.95
Rot. Bonds5

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

(E)-3-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide (PubChem CID 1326115) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
PubChem CID1326115
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name(E)-3-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H18N2O5S/c20-17(8-5-15-2-1-11-24-15)18-14-3-6-16(7-4-14)25(21,22)19-9-12-23-13-10-19/h1-8,11H,9-10,12-13H2,(H,18,20)/b8-5+
InChIKeyGMLVKTZLFVDMAG-VMPITWQZSA-N
XLogP1.95
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide (CID 1326115) is (E)-3-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is GMLVKTZLFVDMAG-VMPITWQZSA-N. The full InChI is InChI=1S/C17H18N2O5S/c20-17(8-5-15-2-1-11-24-15)18-14-3-6-16(7-4-14)25(21,22)19-9-12-23-13-10-19/h1-8,11H,9-10,12-13H2,(H,18,20)/b8-5+.
What are the key properties of (E)-3-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 362.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 1326115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).