(E)-3-[4-(ethylsulfamoyl)phenyl]-N-[1-(furan-2-carbonyl)piperidin-4-yl]prop-2-enamide

C21H25N3O5S — CID 55678336

IUPAC(E)-3-[4-(ethylsulfamoyl)phenyl]-N-[1-(furan-2-carbonyl)piperidin-4-yl]prop-2-enamide
SMILESCCNS(=O)(=O)c1ccc(/C=C/C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C21H25N3O5S/c1-2-22-30(27,28)18-8-5-16(6-9-18)7-10-20(25)23-17-11-13-24(14-12-17)21(26)19-4-3-15-29-19/h3-10,15,17,22H,2,11-14H2,1H3,(H,23,25)/b10-7+
InChIKeyOPYNZKNJZFXCRU-JXMROGBWSA-N
MW431.51 g/mol
LogP2.01
Rot. Bonds7

About (E)-3-[4-(ethylsulfamoyl)phenyl]-N-[1-(furan-2-carbonyl)piperidin-4-yl]prop-2-enamide

(E)-3-[4-(ethylsulfamoyl)phenyl]-N-[1-(furan-2-carbonyl)piperidin-4-yl]prop-2-enamide (PubChem CID 55678336) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is (E)-3-[4-(ethylsulfamoyl)phenyl]-N-[1-(furan-2-carbonyl)piperidin-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(ethylsulfamoyl)phenyl]-N-[1-(furan-2-carbonyl)piperidin-4-yl]prop-2-enamide
PubChem CID55678336
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name(E)-3-[4-(ethylsulfamoyl)phenyl]-N-[1-(furan-2-carbonyl)piperidin-4-yl]prop-2-enamide
SMILESCCNS(=O)(=O)c1ccc(/C=C/C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C21H25N3O5S/c1-2-22-30(27,28)18-8-5-16(6-9-18)7-10-20(25)23-17-11-13-24(14-12-17)21(26)19-4-3-15-29-19/h3-10,15,17,22H,2,11-14H2,1H3,(H,23,25)/b10-7+
InChIKeyOPYNZKNJZFXCRU-JXMROGBWSA-N
XLogP2.01
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-[4-(ethylsulfamoyl)phenyl]-N-[1-(furan-2-carbonyl)piperidin-4-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-cyclopentyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 9214535
(E)-N-cyclohexyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 9337836
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 16606706
6-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyridine-3-sulfonamide
CID 24627279
N-[4-(butylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 17081720
methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 110820105
(E)-3-(4-aminophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 84552572
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 6215811
N-ethyl-4-(furan-2-carbonyl)-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111167330
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
N-[1-(furan-2-carbonyl)piperidin-4-yl]-1-phenylmethanesulfonamide
CID 110820123
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 16613683

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(ethylsulfamoyl)phenyl]-N-[1-(furan-2-carbonyl)piperidin-4-yl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(ethylsulfamoyl)phenyl]-N-[1-(furan-2-carbonyl)piperidin-4-yl]prop-2-enamide (CID 55678336) is (E)-3-[4-(ethylsulfamoyl)phenyl]-N-[1-(furan-2-carbonyl)piperidin-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(ethylsulfamoyl)phenyl]-N-[1-(furan-2-carbonyl)piperidin-4-yl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(ethylsulfamoyl)phenyl]-N-[1-(furan-2-carbonyl)piperidin-4-yl]prop-2-enamide is CCNS(=O)(=O)c1ccc(/C=C/C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of (E)-3-[4-(ethylsulfamoyl)phenyl]-N-[1-(furan-2-carbonyl)piperidin-4-yl]prop-2-enamide?
The InChIKey is OPYNZKNJZFXCRU-JXMROGBWSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-2-22-30(27,28)18-8-5-16(6-9-18)7-10-20(25)23-17-11-13-24(14-12-17)21(26)19-4-3-15-29-19/h3-10,15,17,22H,2,11-14H2,1H3,(H,23,25)/b10-7+.
What are the key properties of (E)-3-[4-(ethylsulfamoyl)phenyl]-N-[1-(furan-2-carbonyl)piperidin-4-yl]prop-2-enamide?
(E)-3-[4-(ethylsulfamoyl)phenyl]-N-[1-(furan-2-carbonyl)piperidin-4-yl]prop-2-enamide has a molecular weight of 431.51 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(ethylsulfamoyl)phenyl]-N-[1-(furan-2-carbonyl)piperidin-4-yl]prop-2-enamide is sourced from PubChem (CID 55678336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).