(3R,4R)-1-benzyl-4,6-diphenyl-3-sulfanyl-3,4-dihydropyridin-2-one

C24H21NOS — CID 102406763

IUPAC(3R,4R)-1-benzyl-4,6-diphenyl-3-sulfanyl-3,4-dihydropyridin-2-one
SMILESO=C1[C@H](S)[C@@H](c2ccccc2)C=C(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C24H21NOS/c26-24-23(27)21(19-12-6-2-7-13-19)16-22(20-14-8-3-9-15-20)25(24)17-18-10-4-1-5-11-18/h1-16,21,23,27H,17H2/t21-,23-/m1/s1
InChIKeyNTNZWXLIQWCVRE-FYYLOGMGSA-N
MW371.50 g/mol
LogP5.15
Rot. Bonds4

About (3R,4R)-1-benzyl-4,6-diphenyl-3-sulfanyl-3,4-dihydropyridin-2-one

(3R,4R)-1-benzyl-4,6-diphenyl-3-sulfanyl-3,4-dihydropyridin-2-one (PubChem CID 102406763) has the molecular formula C24H21NOS and a molecular weight of 371.50 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-4,6-diphenyl-3-sulfanyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-4,6-diphenyl-3-sulfanyl-3,4-dihydropyridin-2-one
PubChem CID102406763
Molecular FormulaC24H21NOS
Molecular Weight371.50 g/mol
Exact Mass371.13
IUPAC Name(3R,4R)-1-benzyl-4,6-diphenyl-3-sulfanyl-3,4-dihydropyridin-2-one
SMILESO=C1[C@H](S)[C@@H](c2ccccc2)C=C(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C24H21NOS/c26-24-23(27)21(19-12-6-2-7-13-19)16-22(20-14-8-3-9-15-20)25(24)17-18-10-4-1-5-11-18/h1-16,21,23,27H,17H2/t21-,23-/m1/s1
InChIKeyNTNZWXLIQWCVRE-FYYLOGMGSA-N
XLogP5.15
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.50
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-1-benzyl-4-(4-chlorophenyl)-6-phenyl-3-sulfanyl-3,4-dihydropyridin-2-one
CID 102406767
(3R,4R)-3-amino-1-benzyl-4,6-diphenyl-3,4-dihydropyridin-2-one
CID 135011947
(3aR,4S,7S,7aR)-2-benzyl-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 99734182
(3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 729946
(3aR,4S,7S,7aR)-2-[(4-fluorophenyl)methyl]-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11890761
(3S,4S)-3-hydroxy-1-methyl-4,6-diphenyl-3,4-dihydropyridin-2-one
CID 135016631
(7Z)-N,1-dibenzyl-2-oxo-8-phenyl-3,4,5,6-tetrahydroazocine-6-carboxamide
CID 23631435
(4S,5R)-1-benzyl-5-ethenyl-2,4-diphenyl-4,5-dihydropyrimidin-6-one
CID 100964466
(4S,8aS)-2-benzyl-4-phenyl-6,7,8,8a-tetrahydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione
CID 56641091
(4R,8aS)-2-benzyl-4-phenyl-6,7,8,8a-tetrahydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione
CID 56641085
(1R,8R,9S,13R)-11-benzyl-14-chloro-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione
CID 6541486
4-benzyl-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 2857223

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-4,6-diphenyl-3-sulfanyl-3,4-dihydropyridin-2-one?
The IUPAC name of (3R,4R)-1-benzyl-4,6-diphenyl-3-sulfanyl-3,4-dihydropyridin-2-one (CID 102406763) is (3R,4R)-1-benzyl-4,6-diphenyl-3-sulfanyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for (3R,4R)-1-benzyl-4,6-diphenyl-3-sulfanyl-3,4-dihydropyridin-2-one?
The canonical SMILES for (3R,4R)-1-benzyl-4,6-diphenyl-3-sulfanyl-3,4-dihydropyridin-2-one is O=C1[C@H](S)[C@@H](c2ccccc2)C=C(c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (3R,4R)-1-benzyl-4,6-diphenyl-3-sulfanyl-3,4-dihydropyridin-2-one?
The InChIKey is NTNZWXLIQWCVRE-FYYLOGMGSA-N. The full InChI is InChI=1S/C24H21NOS/c26-24-23(27)21(19-12-6-2-7-13-19)16-22(20-14-8-3-9-15-20)25(24)17-18-10-4-1-5-11-18/h1-16,21,23,27H,17H2/t21-,23-/m1/s1.
What are the key properties of (3R,4R)-1-benzyl-4,6-diphenyl-3-sulfanyl-3,4-dihydropyridin-2-one?
(3R,4R)-1-benzyl-4,6-diphenyl-3-sulfanyl-3,4-dihydropyridin-2-one has a molecular weight of 371.50 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzyl-4,6-diphenyl-3-sulfanyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 102406763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).