(E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(2,6-difluorophenyl)prop-2-enamide

C20H16F2N2O4S — CID 126198755

IUPAC(E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(2,6-difluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)Nc1c(F)cccc1F
InChIInChI=1S/C20H16F2N2O4S/c21-17-7-4-8-18(22)20(17)24-19(25)12-11-14-9-10-15(28-14)13-23-29(26,27)16-5-2-1-3-6-16/h1-12,23H,13H2,(H,24,25)/b12-11+
InChIKeyDSNLVGMMEKVMEU-VAWYXSNFSA-N
MW418.42 g/mol
LogP3.69
Rot. Bonds7

About (E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(2,6-difluorophenyl)prop-2-enamide

(E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(2,6-difluorophenyl)prop-2-enamide (PubChem CID 126198755) has the molecular formula C20H16F2N2O4S and a molecular weight of 418.42 g/mol. Its IUPAC name is (E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(2,6-difluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(2,6-difluorophenyl)prop-2-enamide
PubChem CID126198755
Molecular FormulaC20H16F2N2O4S
Molecular Weight418.42 g/mol
Exact Mass418.08
IUPAC Name(E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(2,6-difluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)Nc1c(F)cccc1F
InChIInChI=1S/C20H16F2N2O4S/c21-17-7-4-8-18(22)20(17)24-19(25)12-11-14-9-10-15(28-14)13-23-29(26,27)16-5-2-1-3-6-16/h1-12,23H,13H2,(H,24,25)/b12-11+
InChIKeyDSNLVGMMEKVMEU-VAWYXSNFSA-N
XLogP3.69
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide
CID 4014656
(E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(4-phenylmethoxyphenyl)prop-2-enamide
CID 126197089
(E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 126198676
(E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(1,3-benzodioxol-5-yl)prop-2-enamide
CID 126196276
(E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(5-chloro-2-methoxyphenyl)prop-2-enamide
CID 126198474
methyl 4-[[5-(benzenesulfonamidomethyl)furan-2-yl]methylidene]-1-(2-fluorophenyl)-2-methyl-5-oxopyrrole-3-carboxylate
CID 1002103
(E)-N-[4-(benzylsulfamoyl)phenyl]-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide
CID 11306657
N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 64584740
1-[(E)-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-3-phenylurea
CID 133225256
(E)-N-[4-[(2-fluorophenyl)methylsulfamoyl]phenyl]-3-pyridin-4-ylprop-2-enamide
CID 171778479
(E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-2-cyano-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 1138626
(Z)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-2-cyano-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 1138629

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(2,6-difluorophenyl)prop-2-enamide?
The IUPAC name of (E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(2,6-difluorophenyl)prop-2-enamide (CID 126198755) is (E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(2,6-difluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(2,6-difluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(2,6-difluorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)Nc1c(F)cccc1F.
What is the InChIKey of (E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(2,6-difluorophenyl)prop-2-enamide?
The InChIKey is DSNLVGMMEKVMEU-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H16F2N2O4S/c21-17-7-4-8-18(22)20(17)24-19(25)12-11-14-9-10-15(28-14)13-23-29(26,27)16-5-2-1-3-6-16/h1-12,23H,13H2,(H,24,25)/b12-11+.
What are the key properties of (E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(2,6-difluorophenyl)prop-2-enamide?
(E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(2,6-difluorophenyl)prop-2-enamide has a molecular weight of 418.42 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(2,6-difluorophenyl)prop-2-enamide is sourced from PubChem (CID 126198755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).