[1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate

C23H26N2O6S — CID 24982442

IUPAC[1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate
SMILESCc1ccc(NC(=O)C(C)OC(=O)/C=C/c2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H26N2O6S/c1-17-8-10-20(16-21(17)32(28,29)25-12-14-30-15-13-25)24-23(27)18(2)31-22(26)11-9-19-6-4-3-5-7-19/h3-11,16,18H,12-15H2,1-2H3,(H,24,27)/b11-9+
InChIKeyDYUASRBQDRJKSX-PKNBQFBNSA-N
MW458.54 g/mol
LogP2.60
Rot. Bonds7

About [1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate

[1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate (PubChem CID 24982442) has the molecular formula C23H26N2O6S and a molecular weight of 458.54 g/mol. Its IUPAC name is [1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate
PubChem CID24982442
Molecular FormulaC23H26N2O6S
Molecular Weight458.54 g/mol
Exact Mass458.15
IUPAC Name[1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate
SMILESCc1ccc(NC(=O)C(C)OC(=O)/C=C/c2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H26N2O6S/c1-17-8-10-20(16-21(17)32(28,29)25-12-14-30-15-13-25)24-23(27)18(2)31-22(26)11-9-19-6-4-3-5-7-19/h3-11,16,18H,12-15H2,1-2H3,(H,24,27)/b11-9+
InChIKeyDYUASRBQDRJKSX-PKNBQFBNSA-N
XLogP2.60
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 2367802
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 3947818
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide
CID 3959591
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4574211
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 5166849
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 6107805
(E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6245900
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 6520380
[2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 2378597
[2-oxo-2-(4-sulfamoylanilino)ethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 2387412
[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate
CID 3401824
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate
CID 3446135

Frequently Asked Questions

What is the IUPAC name of [1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate (CID 24982442) is [1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate is Cc1ccc(NC(=O)C(C)OC(=O)/C=C/c2ccccc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of [1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate?
The InChIKey is DYUASRBQDRJKSX-PKNBQFBNSA-N. The full InChI is InChI=1S/C23H26N2O6S/c1-17-8-10-20(16-21(17)32(28,29)25-12-14-30-15-13-25)24-23(27)18(2)31-22(26)11-9-19-6-4-3-5-7-19/h3-11,16,18H,12-15H2,1-2H3,(H,24,27)/b11-9+.
What are the key properties of [1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate?
[1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate has a molecular weight of 458.54 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 24982442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).