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

C19H21FN2O3S — CID 7760313

IUPAC(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C19H21FN2O3S/c1-3-22(4-2)26(24,25)18-11-9-17(10-12-18)21-19(23)13-8-15-6-5-7-16(20)14-15/h5-14H,3-4H2,1-2H3,(H,21,23)/b13-8+
InChIKeyUSIOBHKMIMFFPO-MDWZMJQESA-N
MW376.45 g/mol
LogP3.51
Rot. Bonds7

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

(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide (PubChem CID 7760313) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is (E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
PubChem CID7760313
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C19H21FN2O3S/c1-3-22(4-2)26(24,25)18-11-9-17(10-12-18)21-19(23)13-8-15-6-5-7-16(20)14-15/h5-14H,3-4H2,1-2H3,(H,21,23)/b13-8+
InChIKeyUSIOBHKMIMFFPO-MDWZMJQESA-N
XLogP3.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 1314257
N-[4-(diethylsulfamoyl)phenyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704407
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 24640586
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2330150
3-[4-(diethylsulfamoyl)phenyl]-N-(2,6-difluorophenyl)prop-2-enamide
CID 75618954
N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 3643564
N-[4-(dimethylamino)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 78776344
N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1293099
(E)-N-(4-acetamido-3-methylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 46551494
3-(3-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]prop-2-enamide
CID 77042676
(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)prop-2-enamide
CID 26863375
N-(3-cyanophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 71904739

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide (CID 7760313) is (E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1.
What is the InChIKey of (E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide?
The InChIKey is USIOBHKMIMFFPO-MDWZMJQESA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-3-22(4-2)26(24,25)18-11-9-17(10-12-18)21-19(23)13-8-15-6-5-7-16(20)14-15/h5-14H,3-4H2,1-2H3,(H,21,23)/b13-8+.
What are the key properties of (E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide?
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide has a molecular weight of 376.45 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 7760313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).