(E)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide

C23H20N2O6S — CID 24604937

IUPAC(E)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide
SMILESCOc1cccc2cc(/C=C/C(=O)Nc3cccc(S(=O)(=O)NCc4ccco4)c3)oc12
InChIInChI=1S/C23H20N2O6S/c1-29-21-9-2-5-16-13-18(31-23(16)21)10-11-22(26)25-17-6-3-8-20(14-17)32(27,28)24-15-19-7-4-12-30-19/h2-14,24H,15H2,1H3,(H,25,26)/b11-10+
InChIKeyKKJICTBMCOSNIM-ZHACJKMWSA-N
MW452.49 g/mol
LogP4.16
Rot. Bonds8

About (E)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide

(E)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide (PubChem CID 24604937) has the molecular formula C23H20N2O6S and a molecular weight of 452.49 g/mol. Its IUPAC name is (E)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide
PubChem CID24604937
Molecular FormulaC23H20N2O6S
Molecular Weight452.49 g/mol
Exact Mass452.10
IUPAC Name(E)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide
SMILESCOc1cccc2cc(/C=C/C(=O)Nc3cccc(S(=O)(=O)NCc4ccco4)c3)oc12
InChIInChI=1S/C23H20N2O6S/c1-29-21-9-2-5-16-13-18(31-23(16)21)10-11-22(26)25-17-6-3-8-20(14-17)32(27,28)24-15-19-7-4-12-30-19/h2-14,24H,15H2,1H3,(H,25,26)/b11-10+
InChIKeyKKJICTBMCOSNIM-ZHACJKMWSA-N
XLogP4.16
TPSA110.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 54.16
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

(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 26590181
(E)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 17109155
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenoxy)propanamide
CID 3532204
(E)-3-(7-methoxy-1-benzofuran-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 24595962
4-[[(E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]amino]benzamide
CID 17453511
(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 42992514
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 26590143
3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 4844550
(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 29203676
2-(difluoromethoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methoxybenzamide
CID 55342860
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 24639742
(E)-N-(3-fluorophenyl)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 9412526

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide (CID 24604937) is (E)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide is COc1cccc2cc(/C=C/C(=O)Nc3cccc(S(=O)(=O)NCc4ccco4)c3)oc12.
What is the InChIKey of (E)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide?
The InChIKey is KKJICTBMCOSNIM-ZHACJKMWSA-N. The full InChI is InChI=1S/C23H20N2O6S/c1-29-21-9-2-5-16-13-18(31-23(16)21)10-11-22(26)25-17-6-3-8-20(14-17)32(27,28)24-15-19-7-4-12-30-19/h2-14,24H,15H2,1H3,(H,25,26)/b11-10+.
What are the key properties of (E)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide?
(E)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide has a molecular weight of 452.49 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide is sourced from PubChem (CID 24604937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).