(Z)-3-(4-hydroxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one

C19H19NO5S — CID 93045973

IUPAC(Z)-3-(4-hydroxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one
SMILESO=C(/C=C\c1ccc(O)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H19NO5S/c21-17-6-1-15(2-7-17)3-10-19(22)16-4-8-18(9-5-16)26(23,24)20-11-13-25-14-12-20/h1-10,21H,11-14H2/b10-3-
InChIKeyLNMOSMBHJKQALR-KMKOMSMNSA-N
MW373.43 g/mol
LogP2.31
Rot. Bonds5

About (Z)-3-(4-hydroxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one

(Z)-3-(4-hydroxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one (PubChem CID 93045973) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is (Z)-3-(4-hydroxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(4-hydroxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one
PubChem CID93045973
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC Name(Z)-3-(4-hydroxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one
SMILESO=C(/C=C\c1ccc(O)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H19NO5S/c21-17-6-1-15(2-7-17)3-10-19(22)16-4-8-18(9-5-16)26(23,24)20-11-13-25-14-12-20/h1-10,21H,11-14H2/b10-3-
InChIKeyLNMOSMBHJKQALR-KMKOMSMNSA-N
XLogP2.31
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromophenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one
CID 5107196
1-(4-morpholin-4-ylphenyl)-3-[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 171481806
(E)-3-[4-(dimethylamino)phenyl]-1-(4-piperidin-1-ylsulfonylphenyl)prop-2-en-1-one
CID 7954637
4-[3-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxoprop-1-enyl]benzonitrile
CID 3930410
[2-(4-chlorophenyl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 3508397
(E)-1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-en-1-one
CID 60583286
N-(2,6-difluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 76859964
N-(4-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 71904513
(E)-N-(methylcarbamothioyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2421567
(E)-N-(4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2664919
phenacyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 2357522
(Z)-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 2139660

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-hydroxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-3-(4-hydroxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one (CID 93045973) is (Z)-3-(4-hydroxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(4-hydroxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-(4-hydroxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one is O=C(/C=C\c1ccc(O)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of (Z)-3-(4-hydroxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one?
The InChIKey is LNMOSMBHJKQALR-KMKOMSMNSA-N. The full InChI is InChI=1S/C19H19NO5S/c21-17-6-1-15(2-7-17)3-10-19(22)16-4-8-18(9-5-16)26(23,24)20-11-13-25-14-12-20/h1-10,21H,11-14H2/b10-3-.
What are the key properties of (Z)-3-(4-hydroxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one?
(Z)-3-(4-hydroxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one has a molecular weight of 373.43 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-hydroxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one is sourced from PubChem (CID 93045973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).