[5-(dimethylsulfamoyl)furan-2-yl]methyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate

C19H23NO7S — CID 55730493

IUPAC[5-(dimethylsulfamoyl)furan-2-yl]methyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
SMILESCCOc1ccc(/C=C/C(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)cc1OC
InChIInChI=1S/C19H23NO7S/c1-5-25-16-9-6-14(12-17(16)24-4)7-10-18(21)26-13-15-8-11-19(27-15)28(22,23)20(2)3/h6-12H,5,13H2,1-4H3/b10-7+
InChIKeyNSNPHQSBZWIDFM-JXMROGBWSA-N
MW409.46 g/mol
LogP2.69
Rot. Bonds9

About [5-(dimethylsulfamoyl)furan-2-yl]methyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate

[5-(dimethylsulfamoyl)furan-2-yl]methyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate (PubChem CID 55730493) has the molecular formula C19H23NO7S and a molecular weight of 409.46 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)furan-2-yl]methyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)furan-2-yl]methyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
PubChem CID55730493
Molecular FormulaC19H23NO7S
Molecular Weight409.46 g/mol
Exact Mass409.12
IUPAC Name[5-(dimethylsulfamoyl)furan-2-yl]methyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
SMILESCCOc1ccc(/C=C/C(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)cc1OC
InChIInChI=1S/C19H23NO7S/c1-5-25-16-9-6-14(12-17(16)24-4)7-10-18(21)26-13-15-8-11-19(27-15)28(22,23)20(2)3/h6-12H,5,13H2,1-4H3/b10-7+
InChIKeyNSNPHQSBZWIDFM-JXMROGBWSA-N
XLogP2.69
TPSA95.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [5-(dimethylsulfamoyl)furan-2-yl]methyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate with MolForge

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Related Compounds

methyl 5-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 7654003
[5-(dimethylsulfamoyl)furan-2-yl]methyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 55730929
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 55730700
(2,3,4,5,6-pentafluorophenyl)methyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7654255
[2-(2-acetylhydrazinyl)-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7653890
ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 92840869
ethyl (Z)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
CID 92908749
(2-phenyl-1,3-thiazol-4-yl)methyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7253477
ethyl 3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 131846335
[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 9458303
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 55310214
methyl 5-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 7726518

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate?
The IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate (CID 55730493) is [5-(dimethylsulfamoyl)furan-2-yl]methyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for [5-(dimethylsulfamoyl)furan-2-yl]methyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate?
The canonical SMILES for [5-(dimethylsulfamoyl)furan-2-yl]methyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate is CCOc1ccc(/C=C/C(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)cc1OC.
What is the InChIKey of [5-(dimethylsulfamoyl)furan-2-yl]methyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate?
The InChIKey is NSNPHQSBZWIDFM-JXMROGBWSA-N. The full InChI is InChI=1S/C19H23NO7S/c1-5-25-16-9-6-14(12-17(16)24-4)7-10-18(21)26-13-15-8-11-19(27-15)28(22,23)20(2)3/h6-12H,5,13H2,1-4H3/b10-7+.
What are the key properties of [5-(dimethylsulfamoyl)furan-2-yl]methyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate?
[5-(dimethylsulfamoyl)furan-2-yl]methyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate has a molecular weight of 409.46 g/mol, XLogP of 2.69, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyl)furan-2-yl]methyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 55730493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).