N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide

C23H28ClN3O4S — CID 44522274

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C=CC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1
InChIInChI=1S/C23H28ClN3O4S/c1-3-27(4-2)32(29,30)20-9-5-18(6-10-20)7-12-23(28)25-21-17-19(24)8-11-22(21)26-13-15-31-16-14-26/h5-12,17H,3-4,13-16H2,1-2H3,(H,25,28)
InChIKeySKBWECDJQKPQPX-UHFFFAOYSA-N
MW478.01 g/mol
LogP3.86
Rot. Bonds8

About N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide

N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 44522274) has the molecular formula C23H28ClN3O4S and a molecular weight of 478.01 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
PubChem CID44522274
Molecular FormulaC23H28ClN3O4S
Molecular Weight478.01 g/mol
Exact Mass477.15
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C=CC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1
InChIInChI=1S/C23H28ClN3O4S/c1-3-27(4-2)32(29,30)20-9-5-18(6-10-20)7-12-23(28)25-21-17-19(24)8-11-22(21)26-13-15-31-16-14-26/h5-12,17H,3-4,13-16H2,1-2H3,(H,25,28)
InChIKeySKBWECDJQKPQPX-UHFFFAOYSA-N
XLogP3.86
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.01
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)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

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3158002
(E)-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide
CID 10127077
(E)-3-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide
CID 10194639
N-[2-Chloro-4-(toluene-4-sulfonylamino)-phenyl]-2-piperidin-1-yl-acetamide
CID 1147316
N-(2-chlorophenyl)-4-(morpholinosulfonyl)benzamide
CID 1152895
N-(4-chlorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1548697
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2105999
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 2125110
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 2318822
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 2320101
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2413278
N-[5-chloro-2-(4-methyl-1-piperazinyl)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 2670170

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide (CID 44522274) is N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide is CCN(CC)S(=O)(=O)c1ccc(C=CC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is SKBWECDJQKPQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4S/c1-3-27(4-2)32(29,30)20-9-5-18(6-10-20)7-12-23(28)25-21-17-19(24)8-11-22(21)26-13-15-31-16-14-26/h5-12,17H,3-4,13-16H2,1-2H3,(H,25,28).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 478.01 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 44522274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).