N-(furan-2-ylmethyl)-4-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide

C23H24N4O4S — CID 17459740

IUPACN-(furan-2-ylmethyl)-4-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H24N4O4S/c28-23(27-15-13-26(14-16-27)22-5-1-2-12-24-22)11-8-19-6-9-21(10-7-19)32(29,30)25-18-20-4-3-17-31-20/h1-12,17,25H,13-16,18H2/b11-8+
InChIKeyFJMBEFHPQQXDFP-DHZHZOJOSA-N
MW452.54 g/mol
LogP2.52
Rot. Bonds7

About N-(furan-2-ylmethyl)-4-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide

N-(furan-2-ylmethyl)-4-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide (PubChem CID 17459740) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide
PubChem CID17459740
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC NameN-(furan-2-ylmethyl)-4-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H24N4O4S/c28-23(27-15-13-26(14-16-27)22-5-1-2-12-24-22)11-8-19-6-9-21(10-7-19)32(29,30)25-18-20-4-3-17-31-20/h1-12,17,25H,13-16,18H2/b11-8+
InChIKeyFJMBEFHPQQXDFP-DHZHZOJOSA-N
XLogP2.52
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxoprop-1-enyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 5164208
N-[4-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]phenyl]methanesulfonamide
CID 55550228
(E)-3-[4-[(tert-butylamino)methyl]phenyl]-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 59768389
(E)-N-cyclopentyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 9214535
3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 3248207
(E)-N-cyclohexyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 9337836
N-(furan-2-ylmethyl)-4-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxoprop-1-enyl]benzenesulfonamide
CID 73255153
4-[(E)-3-(2,2-dimethylhydrazinyl)-3-oxoprop-1-enyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 9163944
(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-propylprop-2-enamide
CID 35743980
(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-phenylethyl)prop-2-enamide
CID 42992435
(E)-N-benzhydryl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-methylprop-2-enamide
CID 46546170
3-(3-bromophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 4076573

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide (CID 17459740) is N-(furan-2-ylmethyl)-4-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide is O=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide?
The InChIKey is FJMBEFHPQQXDFP-DHZHZOJOSA-N. The full InChI is InChI=1S/C23H24N4O4S/c28-23(27-15-13-26(14-16-27)22-5-1-2-12-24-22)11-8-19-6-9-21(10-7-19)32(29,30)25-18-20-4-3-17-31-20/h1-12,17,25H,13-16,18H2/b11-8+.
What are the key properties of N-(furan-2-ylmethyl)-4-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide?
N-(furan-2-ylmethyl)-4-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide has a molecular weight of 452.54 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide is sourced from PubChem (CID 17459740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).