[2-(1H-indol-3-yl)-2-oxoethyl] 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate

C24H24N2O7S — CID 3577792

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate
SMILESCOc1ccc(C=CC(=O)OCC(=O)c2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H24N2O7S/c1-31-22-8-6-17(14-23(22)34(29,30)26-10-12-32-13-11-26)7-9-24(28)33-16-21(27)19-15-25-20-5-3-2-4-18(19)20/h2-9,14-15,25H,10-13,16H2,1H3
InChIKeyZYTIOOWCDQJENB-UHFFFAOYSA-N
MW484.53 g/mol
LogP2.64
Rot. Bonds8

About [2-(1H-indol-3-yl)-2-oxoethyl] 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate

[2-(1H-indol-3-yl)-2-oxoethyl] 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate (PubChem CID 3577792) has the molecular formula C24H24N2O7S and a molecular weight of 484.53 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate
PubChem CID3577792
Molecular FormulaC24H24N2O7S
Molecular Weight484.53 g/mol
Exact Mass484.13
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate
SMILESCOc1ccc(C=CC(=O)OCC(=O)c2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H24N2O7S/c1-31-22-8-6-17(14-23(22)34(29,30)26-10-12-32-13-11-26)7-9-24(28)33-16-21(27)19-15-25-20-5-3-2-4-18(19)20/h2-9,14-15,25H,10-13,16H2,1H3
InChIKeyZYTIOOWCDQJENB-UHFFFAOYSA-N
XLogP2.64
TPSA115.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 52.64
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-(1H-indol-3-yl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 2462470
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 4840225
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 4027660
(3-fluorophenyl)methyl (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 18277205
[2-(1-adamantylamino)-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 6110421
[2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 6277924
(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methyl-1-phenylbutyl)prop-2-enamide
CID 24685201
N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2109484
[2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 6179575
[2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoate
CID 6038754
N-(2-ethylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 4800980
(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 2622921

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate (CID 3577792) is [2-(1H-indol-3-yl)-2-oxoethyl] 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate is COc1ccc(C=CC(=O)OCC(=O)c2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate?
The InChIKey is ZYTIOOWCDQJENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O7S/c1-31-22-8-6-17(14-23(22)34(29,30)26-10-12-32-13-11-26)7-9-24(28)33-16-21(27)19-15-25-20-5-3-2-4-18(19)20/h2-9,14-15,25H,10-13,16H2,1H3.
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate?
[2-(1H-indol-3-yl)-2-oxoethyl] 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate has a molecular weight of 484.53 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxoethyl] 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate is sourced from PubChem (CID 3577792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).