(E)-3-[4-(diethylsulfamoyl)phenyl]-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide

C19H24N2O4S — CID 9481779

IUPAC(E)-3-[4-(diethylsulfamoyl)phenyl]-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N[C@H](C)c2ccco2)cc1
InChIInChI=1S/C19H24N2O4S/c1-4-21(5-2)26(23,24)17-11-8-16(9-12-17)10-13-19(22)20-15(3)18-7-6-14-25-18/h6-15H,4-5H2,1-3H3,(H,20,22)/b13-10+/t15-/m1/s1
InChIKeyMEKYKECXEXQPJR-NRMKIYEFSA-N
MW376.48 g/mol
LogP3.20
Rot. Bonds8

About (E)-3-[4-(diethylsulfamoyl)phenyl]-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide

(E)-3-[4-(diethylsulfamoyl)phenyl]-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide (PubChem CID 9481779) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is (E)-3-[4-(diethylsulfamoyl)phenyl]-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(diethylsulfamoyl)phenyl]-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide
PubChem CID9481779
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name(E)-3-[4-(diethylsulfamoyl)phenyl]-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N[C@H](C)c2ccco2)cc1
InChIInChI=1S/C19H24N2O4S/c1-4-21(5-2)26(23,24)17-11-8-16(9-12-17)10-13-19(22)20-15(3)18-7-6-14-25-18/h6-15H,4-5H2,1-3H3,(H,20,22)/b13-10+/t15-/m1/s1
InChIKeyMEKYKECXEXQPJR-NRMKIYEFSA-N
XLogP3.20
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.20
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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Related Compounds

(E)-N-[(2R)-butan-2-yl]-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 8712954
(E)-N-[(1R)-1-(furan-2-yl)ethyl]-3-phenylprop-2-enamide
CID 8856139
(E)-N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 9246720
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 51144295
(E)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(3-nitrophenyl)prop-2-enamide
CID 55338990
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide
CID 24641034
(E)-3-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]prop-2-enamide
CID 9481703
3-[4-(diethylsulfamoyl)phenyl]-N-(2,6-difluorophenyl)prop-2-enamide
CID 75618954
3-[4-(diethylsulfamoyl)phenyl]-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]prop-2-enamide
CID 55706454
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 24640586
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 1314257
(E)-4-[[(1S)-1-(furan-2-yl)ethyl]amino]-4-oxobut-2-enoic acid
CID 81408440

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide (CID 9481779) is (E)-3-[4-(diethylsulfamoyl)phenyl]-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(diethylsulfamoyl)phenyl]-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(diethylsulfamoyl)phenyl]-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide is CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N[C@H](C)c2ccco2)cc1.
What is the InChIKey of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide?
The InChIKey is MEKYKECXEXQPJR-NRMKIYEFSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-4-21(5-2)26(23,24)17-11-8-16(9-12-17)10-13-19(22)20-15(3)18-7-6-14-25-18/h6-15H,4-5H2,1-3H3,(H,20,22)/b13-10+/t15-/m1/s1.
What are the key properties of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide?
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide has a molecular weight of 376.48 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(diethylsulfamoyl)phenyl]-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 9481779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).