(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(2,3,4-trifluorophenyl)prop-2-enamide

C19H19F3N2O3S — CID 2318818

IUPAC(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(2,3,4-trifluorophenyl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C19H19F3N2O3S/c1-3-24(4-2)28(26,27)14-8-5-13(6-9-14)7-12-17(25)23-16-11-10-15(20)18(21)19(16)22/h5-12H,3-4H2,1-2H3,(H,23,25)/b12-7+
InChIKeyLYIWLAFCZVMKSZ-KPKJPENVSA-N
MW412.43 g/mol
LogP3.79
Rot. Bonds7

About (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(2,3,4-trifluorophenyl)prop-2-enamide

(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(2,3,4-trifluorophenyl)prop-2-enamide (PubChem CID 2318818) has the molecular formula C19H19F3N2O3S and a molecular weight of 412.43 g/mol. Its IUPAC name is (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(2,3,4-trifluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(2,3,4-trifluorophenyl)prop-2-enamide
PubChem CID2318818
Molecular FormulaC19H19F3N2O3S
Molecular Weight412.43 g/mol
Exact Mass412.11
IUPAC Name(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(2,3,4-trifluorophenyl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C19H19F3N2O3S/c1-3-24(4-2)28(26,27)14-8-5-13(6-9-14)7-12-17(25)23-16-11-10-15(20)18(21)19(16)22/h5-12H,3-4H2,1-2H3,(H,23,25)/b12-7+
InChIKeyLYIWLAFCZVMKSZ-KPKJPENVSA-N
XLogP3.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl)acetamide
CID 1977749
({[4-(Dimethylamino)anilino]carbonyl}amino)(4-methylphenyl)dioxo-lambda~6~-sulfane
CID 2815701
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}-3-phenylpropanamide
CID 2812928
N-(2-Amino-phenyl)-3-[4-(toluene-4-sulfonylamino)-phenyl]-acrylamide
CID 9953205
N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide
CID 16800466
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
N-[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)phenyl]acetamide
CID 720097
N-{4-[(3-methylphenyl)sulfamoyl]phenyl}acetamide
CID 720108
4-(2-{[4-(Dimethylamino)benzyl]amino}ethyl)benzenesulfonamide hydrochloride
CID 4723880
(E)-3-(3-fluorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 9314413

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(2,3,4-trifluorophenyl)prop-2-enamide?
The IUPAC name of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(2,3,4-trifluorophenyl)prop-2-enamide (CID 2318818) is (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(2,3,4-trifluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(2,3,4-trifluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(2,3,4-trifluorophenyl)prop-2-enamide is CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(2,3,4-trifluorophenyl)prop-2-enamide?
The InChIKey is LYIWLAFCZVMKSZ-KPKJPENVSA-N. The full InChI is InChI=1S/C19H19F3N2O3S/c1-3-24(4-2)28(26,27)14-8-5-13(6-9-14)7-12-17(25)23-16-11-10-15(20)18(21)19(16)22/h5-12H,3-4H2,1-2H3,(H,23,25)/b12-7+.
What are the key properties of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(2,3,4-trifluorophenyl)prop-2-enamide?
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(2,3,4-trifluorophenyl)prop-2-enamide has a molecular weight of 412.43 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(2,3,4-trifluorophenyl)prop-2-enamide is sourced from PubChem (CID 2318818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).