[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(3-chlorophenyl)prop-2-enoate

C22H23ClN2O6S — CID 5109082

IUPAC[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(3-chlorophenyl)prop-2-enoate
SMILESCc1ccc(NC(=O)COC(=O)C=Cc2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H23ClN2O6S/c1-16-5-7-19(14-20(16)32(28,29)25-9-11-30-12-10-25)24-21(26)15-31-22(27)8-6-17-3-2-4-18(23)13-17/h2-8,13-14H,9-12,15H2,1H3,(H,24,26)
InChIKeyGMXZVCNSGCOOFI-UHFFFAOYSA-N
MW478.95 g/mol
LogP2.86
Rot. Bonds7

About [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(3-chlorophenyl)prop-2-enoate

[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(3-chlorophenyl)prop-2-enoate (PubChem CID 5109082) has the molecular formula C22H23ClN2O6S and a molecular weight of 478.95 g/mol. Its IUPAC name is [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(3-chlorophenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(3-chlorophenyl)prop-2-enoate
PubChem CID5109082
Molecular FormulaC22H23ClN2O6S
Molecular Weight478.95 g/mol
Exact Mass478.10
IUPAC Name[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(3-chlorophenyl)prop-2-enoate
SMILESCc1ccc(NC(=O)COC(=O)C=Cc2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H23ClN2O6S/c1-16-5-7-19(14-20(16)32(28,29)25-9-11-30-12-10-25)24-21(26)15-31-22(27)8-6-17-3-2-4-18(23)13-17/h2-8,13-14H,9-12,15H2,1H3,(H,24,26)
InChIKeyGMXZVCNSGCOOFI-UHFFFAOYSA-N
XLogP2.86
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.95
LogP ≤ 52.86
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-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 6186952
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 6121329
3-(4-chlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 5035065
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
[2-(3,5-dichloroanilino)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 2357545
1-O-methyl 4-O-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 41447276
[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 42962828
[2-(3-chloroanilino)-2-oxoethyl] (E)-3-(3-methylphenyl)prop-2-enoate
CID 7883197
[2-(3-fluoroanilino)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 42003804
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylmethoxyacetamide
CID 55358424
[2-(3-acetylanilino)-2-oxoethyl] (E)-3-(3-chlorophenyl)prop-2-enoate
CID 2348255
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-1-yloxyacetamide
CID 26218315

Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(3-chlorophenyl)prop-2-enoate?
The IUPAC name of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(3-chlorophenyl)prop-2-enoate (CID 5109082) is [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(3-chlorophenyl)prop-2-enoate.
What is the SMILES notation for [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(3-chlorophenyl)prop-2-enoate?
The canonical SMILES for [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(3-chlorophenyl)prop-2-enoate is Cc1ccc(NC(=O)COC(=O)C=Cc2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(3-chlorophenyl)prop-2-enoate?
The InChIKey is GMXZVCNSGCOOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O6S/c1-16-5-7-19(14-20(16)32(28,29)25-9-11-30-12-10-25)24-21(26)15-31-22(27)8-6-17-3-2-4-18(23)13-17/h2-8,13-14H,9-12,15H2,1H3,(H,24,26).
What are the key properties of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(3-chlorophenyl)prop-2-enoate?
[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(3-chlorophenyl)prop-2-enoate has a molecular weight of 478.95 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(3-chlorophenyl)prop-2-enoate is sourced from PubChem (CID 5109082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).