(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide

C22H20F2N2O6S — CID 26590181

IUPAC(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)ccc1OC(F)F
InChIInChI=1S/C22H20F2N2O6S/c1-30-20-12-15(7-9-19(20)32-22(23)24)8-10-21(27)26-16-4-2-6-18(13-16)33(28,29)25-14-17-5-3-11-31-17/h2-13,22,25H,14H2,1H3,(H,26,27)/b10-8+
InChIKeyLOWHHNUENWIXRE-CSKARUKUSA-N
MW478.47 g/mol
LogP4.02
Rot. Bonds10

About (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide

(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 26590181) has the molecular formula C22H20F2N2O6S and a molecular weight of 478.47 g/mol. Its IUPAC name is (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
PubChem CID26590181
Molecular FormulaC22H20F2N2O6S
Molecular Weight478.47 g/mol
Exact Mass478.10
IUPAC Name(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)ccc1OC(F)F
InChIInChI=1S/C22H20F2N2O6S/c1-30-20-12-15(7-9-19(20)32-22(23)24)8-10-21(27)26-16-4-2-6-18(13-16)33(28,29)25-14-17-5-3-11-31-17/h2-13,22,25H,14H2,1H3,(H,26,27)/b10-8+
InChIKeyLOWHHNUENWIXRE-CSKARUKUSA-N
XLogP4.02
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.47
LogP ≤ 54.02
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

2-(difluoromethoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methoxybenzamide
CID 55342860
(E)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide
CID 24604937
(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 42992514
3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 3646487
(E)-N-(3-fluorophenyl)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 9412526
(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 35864818
3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 4844550
(E)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 17109155
[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 7199196
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(furan-2-ylmethyl)prop-2-enamide
CID 31130752
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-nitrophenyl)prop-2-enamide
CID 26561960
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(4-fluorophenyl)prop-2-enamide
CID 2666277

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide (CID 26590181) is (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide is COc1cc(/C=C/C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)ccc1OC(F)F.
What is the InChIKey of (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is LOWHHNUENWIXRE-CSKARUKUSA-N. The full InChI is InChI=1S/C22H20F2N2O6S/c1-30-20-12-15(7-9-19(20)32-22(23)24)8-10-21(27)26-16-4-2-6-18(13-16)33(28,29)25-14-17-5-3-11-31-17/h2-13,22,25H,14H2,1H3,(H,26,27)/b10-8+.
What are the key properties of (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide?
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 478.47 g/mol, XLogP of 4.02, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 26590181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).