(2-oxocyclohexyl) 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

C19H23NO6S — CID 5122490

IUPAC(2-oxocyclohexyl) 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
SMILESO=C(C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)OC1CCCCC1=O
InChIInChI=1S/C19H23NO6S/c21-17-3-1-2-4-18(17)26-19(22)10-7-15-5-8-16(9-6-15)27(23,24)20-11-13-25-14-12-20/h5-10,18H,1-4,11-14H2
InChIKeyJSBAVZNJKVFYPY-UHFFFAOYSA-N
MW393.46 g/mol
LogP1.78
Rot. Bonds5

About (2-oxocyclohexyl) 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

(2-oxocyclohexyl) 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate (PubChem CID 5122490) has the molecular formula C19H23NO6S and a molecular weight of 393.46 g/mol. Its IUPAC name is (2-oxocyclohexyl) 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate.

Molecular Properties

Compound Name(2-oxocyclohexyl) 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
PubChem CID5122490
Molecular FormulaC19H23NO6S
Molecular Weight393.46 g/mol
Exact Mass393.12
IUPAC Name(2-oxocyclohexyl) 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
SMILESO=C(C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)OC1CCCCC1=O
InChIInChI=1S/C19H23NO6S/c21-17-3-1-2-4-18(17)26-19(22)10-7-15-5-8-16(9-6-15)27(23,24)20-11-13-25-14-12-20/h5-10,18H,1-4,11-14H2
InChIKeyJSBAVZNJKVFYPY-UHFFFAOYSA-N
XLogP1.78
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-oxocyclohexyl) 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 3294241
(E)-1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one
CID 9296351
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 8790147
methyl 2-[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]oxypropanoate
CID 16568787
[2-(carbamoylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 4998576
phenacyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 2357522
[(1R)-2-oxocyclohexyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 8664742
(Z)-3-(4-hydroxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one
CID 93045973
(E)-N-(cyclopropylcarbamothioyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2421551
[2-(4-chlorophenyl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 3508397
(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 2336227
3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 4283211

Frequently Asked Questions

What is the IUPAC name of (2-oxocyclohexyl) 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate?
The IUPAC name of (2-oxocyclohexyl) 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate (CID 5122490) is (2-oxocyclohexyl) 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate.
What is the SMILES notation for (2-oxocyclohexyl) 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate?
The canonical SMILES for (2-oxocyclohexyl) 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate is O=C(C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)OC1CCCCC1=O.
What is the InChIKey of (2-oxocyclohexyl) 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate?
The InChIKey is JSBAVZNJKVFYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6S/c21-17-3-1-2-4-18(17)26-19(22)10-7-15-5-8-16(9-6-15)27(23,24)20-11-13-25-14-12-20/h5-10,18H,1-4,11-14H2.
What are the key properties of (2-oxocyclohexyl) 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate?
(2-oxocyclohexyl) 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate has a molecular weight of 393.46 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxocyclohexyl) 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate is sourced from PubChem (CID 5122490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).