(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide

C23H28N2O5S — CID 2679093

IUPAC(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H28N2O5S/c1-16-13-17(2)23(18(3)14-16)24-22(26)8-6-19-5-7-20(29-4)21(15-19)31(27,28)25-9-11-30-12-10-25/h5-8,13-15H,9-12H2,1-4H3,(H,24,26)/b8-6+
InChIKeyGYYVIZGIBFCIBI-SOFGYWHQSA-N
MW444.55 g/mol
LogP3.29
Rot. Bonds6

About (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide

(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide (PubChem CID 2679093) has the molecular formula C23H28N2O5S and a molecular weight of 444.55 g/mol. Its IUPAC name is (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
PubChem CID2679093
Molecular FormulaC23H28N2O5S
Molecular Weight444.55 g/mol
Exact Mass444.17
IUPAC Name(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H28N2O5S/c1-16-13-17(2)23(18(3)14-16)24-22(26)8-6-19-5-7-20(29-4)21(15-19)31(27,28)25-9-11-30-12-10-25/h5-8,13-15H,9-12H2,1-4H3,(H,24,26)/b8-6+
InChIKeyGYYVIZGIBFCIBI-SOFGYWHQSA-N
XLogP3.29
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 53.29
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

N-(3,5-dimethylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 71903951
(E)-N-(5-fluoro-2-methylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2683636
N-(4-bromophenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 3361660
(E)-N-(4-bromophenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2704846
N-(4-acetylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 4853468
3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 5188502
(E)-N-(2-tert-butylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2117973
(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(1-methylpyrazol-3-yl)prop-2-enamide
CID 8810749
N-(2-ethylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 4800980
3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-pentan-3-ylprop-2-enamide
CID 4801939
(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 6052241
N-(2,4-dimethylphenyl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 4801885

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide (CID 2679093) is (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide?
The InChIKey is GYYVIZGIBFCIBI-SOFGYWHQSA-N. The full InChI is InChI=1S/C23H28N2O5S/c1-16-13-17(2)23(18(3)14-16)24-22(26)8-6-19-5-7-20(29-4)21(15-19)31(27,28)25-9-11-30-12-10-25/h5-8,13-15H,9-12H2,1-4H3,(H,24,26)/b8-6+.
What are the key properties of (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide?
(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide has a molecular weight of 444.55 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide is sourced from PubChem (CID 2679093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).