3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-morpholin-4-ylphenyl)prop-2-enamide

C24H25N3O5S — CID 3248207

IUPAC3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-morpholin-4-ylphenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C24H25N3O5S/c28-24(26-22-5-1-2-6-23(22)27-13-16-31-17-14-27)12-9-19-7-10-21(11-8-19)33(29,30)25-18-20-4-3-15-32-20/h1-12,15,25H,13-14,16-18H2,(H,26,28)
InChIKeyNGDIAOQFSNCFPC-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.25
Rot. Bonds8

About 3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-morpholin-4-ylphenyl)prop-2-enamide

3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-morpholin-4-ylphenyl)prop-2-enamide (PubChem CID 3248207) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is 3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-morpholin-4-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-morpholin-4-ylphenyl)prop-2-enamide
PubChem CID3248207
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Name3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-morpholin-4-ylphenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C24H25N3O5S/c28-24(26-22-5-1-2-6-23(22)27-13-16-31-17-14-27)12-9-19-7-10-21(11-8-19)33(29,30)25-18-20-4-3-15-32-20/h1-12,15,25H,13-14,16-18H2,(H,26,28)
InChIKeyNGDIAOQFSNCFPC-UHFFFAOYSA-N
XLogP3.25
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 6253583
4-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxoprop-1-enyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 5164208
(E)-N-[2-(azepan-1-yl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 24652753
(E)-N-(2-morpholin-4-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1291388
4-[(E)-3-(2,2-dimethylhydrazinyl)-3-oxoprop-1-enyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 9163944
(E)-N-cyclopentyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 9214535
(E)-N-(3-fluorophenyl)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 9412526
(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-propylprop-2-enamide
CID 35743980
(E)-N-cyclohexyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 9337836
(E)-3-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 18227019
N-(furan-2-ylmethyl)-4-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide
CID 17459740
3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 75618828

Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-morpholin-4-ylphenyl)prop-2-enamide?
The IUPAC name of 3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-morpholin-4-ylphenyl)prop-2-enamide (CID 3248207) is 3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-morpholin-4-ylphenyl)prop-2-enamide.
What is the SMILES notation for 3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-morpholin-4-ylphenyl)prop-2-enamide?
The canonical SMILES for 3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-morpholin-4-ylphenyl)prop-2-enamide is O=C(C=Cc1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-morpholin-4-ylphenyl)prop-2-enamide?
The InChIKey is NGDIAOQFSNCFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c28-24(26-22-5-1-2-6-23(22)27-13-16-31-17-14-27)12-9-19-7-10-21(11-8-19)33(29,30)25-18-20-4-3-15-32-20/h1-12,15,25H,13-14,16-18H2,(H,26,28).
What are the key properties of 3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-morpholin-4-ylphenyl)prop-2-enamide?
3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-morpholin-4-ylphenyl)prop-2-enamide has a molecular weight of 467.55 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-morpholin-4-ylphenyl)prop-2-enamide is sourced from PubChem (CID 3248207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).