(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C23H26N2O5S — CID 2494767

IUPAC(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H26N2O5S/c1-29-21-8-7-20(17-22(21)31(27,28)25-13-15-30-16-14-25)23(26)24-11-9-19(10-12-24)18-5-3-2-4-6-18/h2-9,17H,10-16H2,1H3
InChIKeyZBQRBJJRAJEUEZ-UHFFFAOYSA-N
MW442.54 g/mol
LogP2.65
Rot. Bonds5

About (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 2494767) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID2494767
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC Name(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H26N2O5S/c1-29-21-8-7-20(17-22(21)31(27,28)25-13-15-30-16-14-25)23(26)24-11-9-19(10-12-24)18-5-3-2-4-6-18/h2-9,17H,10-16H2,1H3
InChIKeyZBQRBJJRAJEUEZ-UHFFFAOYSA-N
XLogP2.65
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 2494767) is (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is COc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is ZBQRBJJRAJEUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c1-29-21-8-7-20(17-22(21)31(27,28)25-13-15-30-16-14-25)23(26)24-11-9-19(10-12-24)18-5-3-2-4-6-18/h2-9,17H,10-16H2,1H3.
What are the key properties of (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 442.54 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 2494767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).