[2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate

C22H25N3O6S — CID 2378597

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
SMILESCCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C22H25N3O6S/c1-3-25(4-2)32(29,30)19-12-5-16(6-13-19)7-14-21(27)31-15-20(26)24-18-10-8-17(9-11-18)22(23)28/h5-14H,3-4,15H2,1-2H3,(H2,23,28)(H,24,26)/b14-7+
InChIKeyKYDYSJDHDXBPAR-VGOFMYFVSA-N
MW459.52 g/mol
LogP2.01
Rot. Bonds10

About [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate

[2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate (PubChem CID 2378597) has the molecular formula C22H25N3O6S and a molecular weight of 459.52 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
PubChem CID2378597
Molecular FormulaC22H25N3O6S
Molecular Weight459.52 g/mol
Exact Mass459.15
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
SMILESCCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C22H25N3O6S/c1-3-25(4-2)32(29,30)19-12-5-16(6-13-19)7-14-21(27)31-15-20(26)24-18-10-8-17(9-11-18)22(23)28/h5-14H,3-4,15H2,1-2H3,(H2,23,28)(H,24,26)/b14-7+
InChIKeyKYDYSJDHDXBPAR-VGOFMYFVSA-N
XLogP2.01
TPSA135.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate 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-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
[2-(2,6-dimethylanilino)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 2367802
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 6107805
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 6520380
4-(Morpholine-4-sulfonyl)-N-phenyl-benzamide
CID 777437
N-(4-Acetyl-phenyl)-4-methyl-3-(morpholine-4-sulfonyl)-benzamide
CID 1081950
4-{[bis(2-hydroxyethyl)amino]sulfonyl}-N-phenylbenzamide
CID 1262329
4-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 1548115
4-(dipropylsulfamoyl)-N-phenylbenzamide
CID 1548275
(2-Morpholin-4-yl-2-oxoethyl) 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2092477
[2-Oxo-2-(4-sulfamoylanilino)ethyl] 4-(dimethylamino)benzoate
CID 2102825
[2-Oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-(methylsulfamoyl)benzoate
CID 2129018

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate (CID 2378597) is [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate is CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate?
The InChIKey is KYDYSJDHDXBPAR-VGOFMYFVSA-N. The full InChI is InChI=1S/C22H25N3O6S/c1-3-25(4-2)32(29,30)19-12-5-16(6-13-19)7-14-21(27)31-15-20(26)24-18-10-8-17(9-11-18)22(23)28/h5-14H,3-4,15H2,1-2H3,(H2,23,28)(H,24,26)/b14-7+.
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate?
[2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate has a molecular weight of 459.52 g/mol, XLogP of 2.01, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate is sourced from PubChem (CID 2378597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).