[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate

C24H32N2O7S — CID 6217647

IUPAC[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)OCC(=O)NCCC2=CCCCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H32N2O7S/c1-31-21-9-7-20(17-22(21)34(29,30)26-13-15-32-16-14-26)8-10-24(28)33-18-23(27)25-12-11-19-5-3-2-4-6-19/h5,7-10,17H,2-4,6,11-16,18H2,1H3,(H,25,27)/b10-8+
InChIKeyIZAVNFVSRWZKQZ-CSKARUKUSA-N
MW492.59 g/mol
LogP2.28
Rot. Bonds10

About [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate

[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate (PubChem CID 6217647) has the molecular formula C24H32N2O7S and a molecular weight of 492.59 g/mol. Its IUPAC name is [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate
PubChem CID6217647
Molecular FormulaC24H32N2O7S
Molecular Weight492.59 g/mol
Exact Mass492.19
IUPAC Name[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)OCC(=O)NCCC2=CCCCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H32N2O7S/c1-31-21-9-7-20(17-22(21)34(29,30)26-13-15-32-16-14-26)8-10-24(28)33-18-23(27)25-12-11-19-5-3-2-4-6-19/h5,7-10,17H,2-4,6,11-16,18H2,1H3,(H,25,27)/b10-8+
InChIKeyIZAVNFVSRWZKQZ-CSKARUKUSA-N
XLogP2.28
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.59
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 4845868
MicroRNA modulator-1
CID 5967303
1-[(2-methoxy-5-methylphenyl)sulfonyl]-N-(2-phenylethyl)-4-piperidinecarboxamide
CID 1263562
[2-(Cyclopropylamino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 2488458
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylbutyl)acetamide
CID 2574238
N-[2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2997539
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 6071436
1-[(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]piperidine-4-carboxamide
CID 6236432
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 6291897
N-[2-(4-methoxyphenyl)ethyl]-2-[2-methyl-4-(morpholin-4-ylsulfonyl)phenoxy]acetamide
CID 6495047
1-{[2-methoxy-5-(propan-2-yl)phenyl]sulfonyl}-N-(tetrahydrofuran-2-ylmethyl)piperidine-4-carboxamide
CID 24816606
[1-[(2-Methylcyclohexyl)amino]-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 24982903

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate?
The IUPAC name of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate (CID 6217647) is [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate.
What is the SMILES notation for [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate?
The canonical SMILES for [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate is COc1ccc(/C=C/C(=O)OCC(=O)NCCC2=CCCCC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate?
The InChIKey is IZAVNFVSRWZKQZ-CSKARUKUSA-N. The full InChI is InChI=1S/C24H32N2O7S/c1-31-21-9-7-20(17-22(21)34(29,30)26-13-15-32-16-14-26)8-10-24(28)33-18-23(27)25-12-11-19-5-3-2-4-6-19/h5,7-10,17H,2-4,6,11-16,18H2,1H3,(H,25,27)/b10-8+.
What are the key properties of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate?
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate has a molecular weight of 492.59 g/mol, XLogP of 2.28, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate is sourced from PubChem (CID 6217647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).