(5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4-(phenylmethoxymethyl)-2,5-dihydropyridin-6-one

C26H25NO4S — CID 154720256

IUPAC(5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4-(phenylmethoxymethyl)-2,5-dihydropyridin-6-one
SMILESCc1ccc(S(=O)(=O)N2CC=C(COCc3ccccc3)[C@@H](c3ccccc3)C2=O)cc1
InChIInChI=1S/C26H25NO4S/c1-20-12-14-24(15-13-20)32(29,30)27-17-16-23(19-31-18-21-8-4-2-5-9-21)25(26(27)28)22-10-6-3-7-11-22/h2-16,25H,17-19H2,1H3/t25-/m1/s1
InChIKeyNWMWHXGQCITCPP-RUZDIDTESA-N
MW447.56 g/mol
LogP4.45
Rot. Bonds7

About (5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4-(phenylmethoxymethyl)-2,5-dihydropyridin-6-one

(5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4-(phenylmethoxymethyl)-2,5-dihydropyridin-6-one (PubChem CID 154720256) has the molecular formula C26H25NO4S and a molecular weight of 447.56 g/mol. Its IUPAC name is (5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4-(phenylmethoxymethyl)-2,5-dihydropyridin-6-one.

Molecular Properties

Compound Name(5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4-(phenylmethoxymethyl)-2,5-dihydropyridin-6-one
PubChem CID154720256
Molecular FormulaC26H25NO4S
Molecular Weight447.56 g/mol
Exact Mass447.15
IUPAC Name(5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4-(phenylmethoxymethyl)-2,5-dihydropyridin-6-one
SMILESCc1ccc(S(=O)(=O)N2CC=C(COCc3ccccc3)[C@@H](c3ccccc3)C2=O)cc1
InChIInChI=1S/C26H25NO4S/c1-20-12-14-24(15-13-20)32(29,30)27-17-16-23(19-31-18-21-8-4-2-5-9-21)25(26(27)28)22-10-6-3-7-11-22/h2-16,25H,17-19H2,1H3/t25-/m1/s1
InChIKeyNWMWHXGQCITCPP-RUZDIDTESA-N
XLogP4.45
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4-(phenylmethoxymethyl)-2,5-dihydropyridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4-(phenylmethoxymethyl)-2,5-dihydropyridin-6-one?
The IUPAC name of (5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4-(phenylmethoxymethyl)-2,5-dihydropyridin-6-one (CID 154720256) is (5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4-(phenylmethoxymethyl)-2,5-dihydropyridin-6-one.
What is the SMILES notation for (5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4-(phenylmethoxymethyl)-2,5-dihydropyridin-6-one?
The canonical SMILES for (5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4-(phenylmethoxymethyl)-2,5-dihydropyridin-6-one is Cc1ccc(S(=O)(=O)N2CC=C(COCc3ccccc3)[C@@H](c3ccccc3)C2=O)cc1.
What is the InChIKey of (5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4-(phenylmethoxymethyl)-2,5-dihydropyridin-6-one?
The InChIKey is NWMWHXGQCITCPP-RUZDIDTESA-N. The full InChI is InChI=1S/C26H25NO4S/c1-20-12-14-24(15-13-20)32(29,30)27-17-16-23(19-31-18-21-8-4-2-5-9-21)25(26(27)28)22-10-6-3-7-11-22/h2-16,25H,17-19H2,1H3/t25-/m1/s1.
What are the key properties of (5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4-(phenylmethoxymethyl)-2,5-dihydropyridin-6-one?
(5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4-(phenylmethoxymethyl)-2,5-dihydropyridin-6-one has a molecular weight of 447.56 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4-(phenylmethoxymethyl)-2,5-dihydropyridin-6-one is sourced from PubChem (CID 154720256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).