(E)-3-(5-bromofuran-2-yl)-N-(4-ethylsulfonylphenyl)prop-2-enamide

C15H14BrNO4S — CID 46693671

IUPAC(E)-3-(5-bromofuran-2-yl)-N-(4-ethylsulfonylphenyl)prop-2-enamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Br)o2)cc1
InChIInChI=1S/C15H14BrNO4S/c1-2-22(19,20)13-7-3-11(4-8-13)17-15(18)10-6-12-5-9-14(16)21-12/h3-10H,2H2,1H3,(H,17,18)/b10-6+
InChIKeyCRGRYUIPLYJAFX-UXBLZVDNSA-N
MW384.25 g/mol
LogP3.49
Rot. Bonds5

About (E)-3-(5-bromofuran-2-yl)-N-(4-ethylsulfonylphenyl)prop-2-enamide

(E)-3-(5-bromofuran-2-yl)-N-(4-ethylsulfonylphenyl)prop-2-enamide (PubChem CID 46693671) has the molecular formula C15H14BrNO4S and a molecular weight of 384.25 g/mol. Its IUPAC name is (E)-3-(5-bromofuran-2-yl)-N-(4-ethylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-bromofuran-2-yl)-N-(4-ethylsulfonylphenyl)prop-2-enamide
PubChem CID46693671
Molecular FormulaC15H14BrNO4S
Molecular Weight384.25 g/mol
Exact Mass382.98
IUPAC Name(E)-3-(5-bromofuran-2-yl)-N-(4-ethylsulfonylphenyl)prop-2-enamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Br)o2)cc1
InChIInChI=1S/C15H14BrNO4S/c1-2-22(19,20)13-7-3-11(4-8-13)17-15(18)10-6-12-5-9-14(16)21-12/h3-10H,2H2,1H3,(H,17,18)/b10-6+
InChIKeyCRGRYUIPLYJAFX-UXBLZVDNSA-N
XLogP3.49
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (E)-3-(5-bromofuran-2-yl)-N-(4-ethylsulfonylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-bromofuran-2-yl)-N-(4-ethylsulfonylphenyl)prop-2-enamide (CID 46693671) is (E)-3-(5-bromofuran-2-yl)-N-(4-ethylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-bromofuran-2-yl)-N-(4-ethylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-bromofuran-2-yl)-N-(4-ethylsulfonylphenyl)prop-2-enamide is CCS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Br)o2)cc1.
What is the InChIKey of (E)-3-(5-bromofuran-2-yl)-N-(4-ethylsulfonylphenyl)prop-2-enamide?
The InChIKey is CRGRYUIPLYJAFX-UXBLZVDNSA-N. The full InChI is InChI=1S/C15H14BrNO4S/c1-2-22(19,20)13-7-3-11(4-8-13)17-15(18)10-6-12-5-9-14(16)21-12/h3-10H,2H2,1H3,(H,17,18)/b10-6+.
What are the key properties of (E)-3-(5-bromofuran-2-yl)-N-(4-ethylsulfonylphenyl)prop-2-enamide?
(E)-3-(5-bromofuran-2-yl)-N-(4-ethylsulfonylphenyl)prop-2-enamide has a molecular weight of 384.25 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromofuran-2-yl)-N-(4-ethylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 46693671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).