[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

C17H18N2O6S — CID 6240844

IUPAC[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)/C=C/c2ccco2)c1
InChIInChI=1S/C17H18N2O6S/c1-19(2)26(22,23)15-7-3-5-13(11-15)18-16(20)12-25-17(21)9-8-14-6-4-10-24-14/h3-11H,12H2,1-2H3,(H,18,20)/b9-8+
InChIKeyOTQNDJWZZYADBZ-CMDGGOBGSA-N
MW378.41 g/mol
LogP1.73
Rot. Bonds7

About [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 6240844) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID6240844
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC Name[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)/C=C/c2ccco2)c1
InChIInChI=1S/C17H18N2O6S/c1-19(2)26(22,23)15-7-3-5-13(11-15)18-16(20)12-25-17(21)9-8-14-6-4-10-24-14/h3-11H,12H2,1-2H3,(H,18,20)/b9-8+
InChIKeyOTQNDJWZZYADBZ-CMDGGOBGSA-N
XLogP1.73
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate (CID 6240844) is [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)/C=C/c2ccco2)c1.
What is the InChIKey of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is OTQNDJWZZYADBZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H18N2O6S/c1-19(2)26(22,23)15-7-3-5-13(11-15)18-16(20)12-25-17(21)9-8-14-6-4-10-24-14/h3-11H,12H2,1-2H3,(H,18,20)/b9-8+.
What are the key properties of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 378.41 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 6240844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).