(E)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-(4-methylphenyl)ethenesulfonamide

C22H19N3O4S — CID 72717425

IUPAC(E)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)Nc2ccccc2Cc2nc(-c3ccco3)no2)cc1
InChIInChI=1S/C22H19N3O4S/c1-16-8-10-17(11-9-16)12-14-30(26,27)25-19-6-3-2-5-18(19)15-21-23-22(24-29-21)20-7-4-13-28-20/h2-14,25H,15H2,1H3/b14-12+
InChIKeyVUWYQQXFDOOJTB-WYMLVPIESA-N
MW421.48 g/mol
LogP4.64
Rot. Bonds7

About (E)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-(4-methylphenyl)ethenesulfonamide

(E)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-(4-methylphenyl)ethenesulfonamide (PubChem CID 72717425) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is (E)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-(4-methylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-(4-methylphenyl)ethenesulfonamide
PubChem CID72717425
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC Name(E)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)Nc2ccccc2Cc2nc(-c3ccco3)no2)cc1
InChIInChI=1S/C22H19N3O4S/c1-16-8-10-17(11-9-16)12-14-30(26,27)25-19-6-3-2-5-18(19)15-21-23-22(24-29-21)20-7-4-13-28-20/h2-14,25H,15H2,1H3/b14-12+
InChIKeyVUWYQQXFDOOJTB-WYMLVPIESA-N
XLogP4.64
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (E)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-(4-methylphenyl)ethenesulfonamide 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

N-{4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-furamide
CID 3237564
N-(4-ethylphenyl)-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanamide
CID 16015273
3-(2-Furyl)-5-(4-isothiocyanophenyl)-1,2,4-oxadiazole
CID 21390694
2-chloro-6-fluoro-N-(2-((3-(furan-2-yl)-1,2,4-oxadiazol-5-yl)methyl)phenyl)benzamide
CID 71800575
N-(2-{[3-(Furan-2-YL)-1,2,4-oxadiazol-5-YL]methyl}phenyl)-2-(trifluoromethyl)benzamide
CID 71800576
2-((4-fluorophenyl)thio)-N-(2-((3-(furan-2-yl)-1,2,4-oxadiazol-5-yl)methyl)phenyl)acetamide
CID 71800589
N-(o-{[3-(2-furyl)-1,2,4-oxadiazol-5-yl]methyl}phenyl)-(S)-1-(p-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 97427101
N-{4-[5-(4-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenyl}furan-2-carboxamide
CID 1271519
N-(2-((3-(furan-2-yl)-1,2,4-oxadiazol-5-yl)methyl)phenyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 71800566
Methyl 4-[(2-{[3-(furan-2-YL)-1,2,4-oxadiazol-5-YL]methyl}phenyl)carbamoyl]benzoate
CID 71800568
2-bromo-N-(2-((3-(furan-2-yl)-1,2,4-oxadiazol-5-yl)methyl)phenyl)benzamide
CID 71800574
N-(2-((3-(furan-2-yl)-1,2,4-oxadiazol-5-yl)methyl)phenyl)-2-(methylthio)benzamide
CID 71800585

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-(4-methylphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-(4-methylphenyl)ethenesulfonamide (CID 72717425) is (E)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-(4-methylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-(4-methylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-(4-methylphenyl)ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)Nc2ccccc2Cc2nc(-c3ccco3)no2)cc1.
What is the InChIKey of (E)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-(4-methylphenyl)ethenesulfonamide?
The InChIKey is VUWYQQXFDOOJTB-WYMLVPIESA-N. The full InChI is InChI=1S/C22H19N3O4S/c1-16-8-10-17(11-9-16)12-14-30(26,27)25-19-6-3-2-5-18(19)15-21-23-22(24-29-21)20-7-4-13-28-20/h2-14,25H,15H2,1H3/b14-12+.
What are the key properties of (E)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-(4-methylphenyl)ethenesulfonamide?
(E)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-(4-methylphenyl)ethenesulfonamide has a molecular weight of 421.48 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-(4-methylphenyl)ethenesulfonamide is sourced from PubChem (CID 72717425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).