(E)-3-[4-(diethylsulfamoyl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide

C22H23N3O4S — CID 78890114

IUPAC(E)-3-[4-(diethylsulfamoyl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(-c3cnco3)cc2)cc1
InChIInChI=1S/C22H23N3O4S/c1-3-25(4-2)30(27,28)20-12-5-17(6-13-20)7-14-22(26)24-19-10-8-18(9-11-19)21-15-23-16-29-21/h5-16H,3-4H2,1-2H3,(H,24,26)/b14-7+
InChIKeyKYLZXWZASWGFID-VGOFMYFVSA-N
MW425.51 g/mol
LogP4.02
Rot. Bonds8

About (E)-3-[4-(diethylsulfamoyl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide

(E)-3-[4-(diethylsulfamoyl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide (PubChem CID 78890114) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is (E)-3-[4-(diethylsulfamoyl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(diethylsulfamoyl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide
PubChem CID78890114
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name(E)-3-[4-(diethylsulfamoyl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(-c3cnco3)cc2)cc1
InChIInChI=1S/C22H23N3O4S/c1-3-25(4-2)30(27,28)20-12-5-17(6-13-20)7-14-22(26)24-19-10-8-18(9-11-19)21-15-23-16-29-21/h5-16H,3-4H2,1-2H3,(H,24,26)/b14-7+
InChIKeyKYLZXWZASWGFID-VGOFMYFVSA-N
XLogP4.02
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-[4-(diethylsulfamoyl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 1314257
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 24640586
N-[4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide
CID 103598249
N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1293099
(E)-3-(3,4-diethoxyphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide
CID 78890153
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 7550836
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide
CID 16577485
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]prop-2-enamide
CID 55492764
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2330150
(E)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide
CID 70303296
(E)-N-(4-acetamido-3-methylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 46551494
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 7760313

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide (CID 78890114) is (E)-3-[4-(diethylsulfamoyl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(diethylsulfamoyl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(diethylsulfamoyl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide is CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(-c3cnco3)cc2)cc1.
What is the InChIKey of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide?
The InChIKey is KYLZXWZASWGFID-VGOFMYFVSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-3-25(4-2)30(27,28)20-12-5-17(6-13-20)7-14-22(26)24-19-10-8-18(9-11-19)21-15-23-16-29-21/h5-16H,3-4H2,1-2H3,(H,24,26)/b14-7+.
What are the key properties of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide?
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide has a molecular weight of 425.51 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(diethylsulfamoyl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 78890114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).