(E)-3-(5-bromofuran-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]prop-2-enamide

C19H23BrN2O5S — CID 26756004

IUPAC(E)-3-(5-bromofuran-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]prop-2-enamide
SMILESCCOc1ccc(NC(=O)/C=C/c2ccc(Br)o2)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C19H23BrN2O5S/c1-4-22(5-2)28(24,25)17-13-14(7-10-16(17)26-6-3)21-19(23)12-9-15-8-11-18(20)27-15/h7-13H,4-6H2,1-3H3,(H,21,23)/b12-9+
InChIKeyDBKZRKTVOBYYBF-FMIVXFBMSA-N
MW471.37 g/mol
LogP4.12
Rot. Bonds9

About (E)-3-(5-bromofuran-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]prop-2-enamide

(E)-3-(5-bromofuran-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]prop-2-enamide (PubChem CID 26756004) has the molecular formula C19H23BrN2O5S and a molecular weight of 471.37 g/mol. Its IUPAC name is (E)-3-(5-bromofuran-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-bromofuran-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]prop-2-enamide
PubChem CID26756004
Molecular FormulaC19H23BrN2O5S
Molecular Weight471.37 g/mol
Exact Mass470.05
IUPAC Name(E)-3-(5-bromofuran-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]prop-2-enamide
SMILESCCOc1ccc(NC(=O)/C=C/c2ccc(Br)o2)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C19H23BrN2O5S/c1-4-22(5-2)28(24,25)17-13-14(7-10-16(17)26-6-3)21-19(23)12-9-15-8-11-18(20)27-15/h7-13H,4-6H2,1-3H3,(H,21,23)/b12-9+
InChIKeyDBKZRKTVOBYYBF-FMIVXFBMSA-N
XLogP4.12
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide
CID 31541629
4-bromo-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2,5-dimethylfuran-3-carboxamide
CID 55606313
(E)-3-(5-bromofuran-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide
CID 26663841
(E)-3-(5-bromofuran-2-yl)-N-(4-ethylsulfonylphenyl)prop-2-enamide
CID 46693671
(E)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide
CID 38930479
2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 119686493
(E)-3-(1,3-benzodioxol-5-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]prop-2-enamide
CID 9470081
3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119686501
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide
CID 8796668
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide
CID 120984552
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
CID 120984551
N-[4-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]amino]-2,5-diethoxyphenyl]benzamide
CID 35865429

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromofuran-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]prop-2-enamide?
The IUPAC name of (E)-3-(5-bromofuran-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]prop-2-enamide (CID 26756004) is (E)-3-(5-bromofuran-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(5-bromofuran-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(5-bromofuran-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]prop-2-enamide is CCOc1ccc(NC(=O)/C=C/c2ccc(Br)o2)cc1S(=O)(=O)N(CC)CC.
What is the InChIKey of (E)-3-(5-bromofuran-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]prop-2-enamide?
The InChIKey is DBKZRKTVOBYYBF-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H23BrN2O5S/c1-4-22(5-2)28(24,25)17-13-14(7-10-16(17)26-6-3)21-19(23)12-9-15-8-11-18(20)27-15/h7-13H,4-6H2,1-3H3,(H,21,23)/b12-9+.
What are the key properties of (E)-3-(5-bromofuran-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]prop-2-enamide?
(E)-3-(5-bromofuran-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]prop-2-enamide has a molecular weight of 471.37 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromofuran-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]prop-2-enamide is sourced from PubChem (CID 26756004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).