[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate

C23H26N2O7S — CID 6121329

IUPAC[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
SMILESCOc1cccc(/C=C/C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1
InChIInChI=1S/C23H26N2O7S/c1-17-6-8-20(33(28,29)25-10-12-31-13-11-25)15-21(17)24-22(26)16-32-23(27)9-7-18-4-3-5-19(14-18)30-2/h3-9,14-15H,10-13,16H2,1-2H3,(H,24,26)/b9-7+
InChIKeyAAXBCTYHPLYESV-VQHVLOKHSA-N
MW474.54 g/mol
LogP2.22
Rot. Bonds8

About [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate

[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate (PubChem CID 6121329) has the molecular formula C23H26N2O7S and a molecular weight of 474.54 g/mol. Its IUPAC name is [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
PubChem CID6121329
Molecular FormulaC23H26N2O7S
Molecular Weight474.54 g/mol
Exact Mass474.15
IUPAC Name[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
SMILESCOc1cccc(/C=C/C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1
InChIInChI=1S/C23H26N2O7S/c1-17-6-8-20(33(28,29)25-10-12-31-13-11-25)15-21(17)24-22(26)16-32-23(27)9-7-18-4-3-5-19(14-18)30-2/h3-9,14-15H,10-13,16H2,1-2H3,(H,24,26)/b9-7+
InChIKeyAAXBCTYHPLYESV-VQHVLOKHSA-N
XLogP2.22
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 8760061
[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(3-chlorophenyl)prop-2-enoate
CID 5109082
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 6027216
[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-pent-2-enoate
CID 8673318
(E)-3-(3,4-dimethoxyphenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6089454
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 25162358
[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 6092486
[2-(3-fluoroanilino)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 42003804
(Z)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(3-methoxyphenyl)prop-2-en-1-one
CID 2674821
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 7722474
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 4664802

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate?
The IUPAC name of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate (CID 6121329) is [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate?
The canonical SMILES for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate is COc1cccc(/C=C/C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1.
What is the InChIKey of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate?
The InChIKey is AAXBCTYHPLYESV-VQHVLOKHSA-N. The full InChI is InChI=1S/C23H26N2O7S/c1-17-6-8-20(33(28,29)25-10-12-31-13-11-25)15-21(17)24-22(26)16-32-23(27)9-7-18-4-3-5-19(14-18)30-2/h3-9,14-15H,10-13,16H2,1-2H3,(H,24,26)/b9-7+.
What are the key properties of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate?
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate has a molecular weight of 474.54 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 6121329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).