(3R)-4-(4-methylphenyl)sulfonyl-3,6-diphenyl-2,3-dihydro-1,4-oxazine

C23H21NO3S — CID 139044063

IUPAC(3R)-4-(4-methylphenyl)sulfonyl-3,6-diphenyl-2,3-dihydro-1,4-oxazine
SMILESCc1ccc(S(=O)(=O)N2C=C(c3ccccc3)OC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C23H21NO3S/c1-18-12-14-21(15-13-18)28(25,26)24-16-23(20-10-6-3-7-11-20)27-17-22(24)19-8-4-2-5-9-19/h2-16,22H,17H2,1H3/t22-/m0/s1
InChIKeyFGHUQVLOVLLXOC-QFIPXVFZSA-N
MW391.49 g/mol
LogP4.76
Rot. Bonds4

About (3R)-4-(4-methylphenyl)sulfonyl-3,6-diphenyl-2,3-dihydro-1,4-oxazine

(3R)-4-(4-methylphenyl)sulfonyl-3,6-diphenyl-2,3-dihydro-1,4-oxazine (PubChem CID 139044063) has the molecular formula C23H21NO3S and a molecular weight of 391.49 g/mol. Its IUPAC name is (3R)-4-(4-methylphenyl)sulfonyl-3,6-diphenyl-2,3-dihydro-1,4-oxazine.

Molecular Properties

Compound Name(3R)-4-(4-methylphenyl)sulfonyl-3,6-diphenyl-2,3-dihydro-1,4-oxazine
PubChem CID139044063
Molecular FormulaC23H21NO3S
Molecular Weight391.49 g/mol
Exact Mass391.12
IUPAC Name(3R)-4-(4-methylphenyl)sulfonyl-3,6-diphenyl-2,3-dihydro-1,4-oxazine
SMILESCc1ccc(S(=O)(=O)N2C=C(c3ccccc3)OC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C23H21NO3S/c1-18-12-14-21(15-13-18)28(25,26)24-16-23(20-10-6-3-7-11-20)27-17-22(24)19-8-4-2-5-9-19/h2-16,22H,17H2,1H3/t22-/m0/s1
InChIKeyFGHUQVLOVLLXOC-QFIPXVFZSA-N
XLogP4.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-4-(4-methylphenyl)sulfonyl-3,6-diphenyl-2,3-dihydro-1,4-oxazine with MolForge

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

Launch Full Analysis

Related Compounds

2-benzyl-4-methylidene-3-(phenylmethoxymethyl)-3H-1lambda6,2-benzothiazine 1,1-dioxide
CID 16746524
9-Benzyl-1,5-bis[[4-(butoxymethyl)phenyl]sulfonyl]-3-methylene-1,5,9-triazacyclododecane
CID 3011742
1,3-Oxazine, tetrahydro-3-((4-methylphenyl)sulfonyl)-6-(4-morpholinylmethyl)-2-phenyl-
CID 218558
(1R,2S)-2-(N-Benzyl-2,4,6-trimethylphenylsulfonamido)-1-phenylpropyl propionate
CID 11190801
Acetic Acid (1S,2R)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenylpropyl Ester
CID 10906725
Propionic Acid (1S,2R)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenylpropyl Ester
CID 10961838
2-(4-Fluorophenyl)-4-tosylmorpholine
CID 42949939
(2R,3S)-2-(4-fluorophenyl)-6-methyl-4-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)-2,3-dihydro-1,4-oxazine
CID 60154252
(2R,3S)-2-(4-fluorophenyl)-3,6-dimethyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine
CID 60154323
(2S)-6-(2,4-difluorophenyl)-2-ethenyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine
CID 138964361
(3Z)-2-(4-fluorophenyl)-7-methylidene-5-(4-methylphenyl)sulfonyl-4-phenyl-2,6-dihydro-1,5-oxazocine
CID 162415847
(3Z)-4-(4-fluorophenyl)-7-methylidene-5-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydro-1,5-oxazocine
CID 162415850

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(4-methylphenyl)sulfonyl-3,6-diphenyl-2,3-dihydro-1,4-oxazine?
The IUPAC name of (3R)-4-(4-methylphenyl)sulfonyl-3,6-diphenyl-2,3-dihydro-1,4-oxazine (CID 139044063) is (3R)-4-(4-methylphenyl)sulfonyl-3,6-diphenyl-2,3-dihydro-1,4-oxazine.
What is the SMILES notation for (3R)-4-(4-methylphenyl)sulfonyl-3,6-diphenyl-2,3-dihydro-1,4-oxazine?
The canonical SMILES for (3R)-4-(4-methylphenyl)sulfonyl-3,6-diphenyl-2,3-dihydro-1,4-oxazine is Cc1ccc(S(=O)(=O)N2C=C(c3ccccc3)OC[C@H]2c2ccccc2)cc1.
What is the InChIKey of (3R)-4-(4-methylphenyl)sulfonyl-3,6-diphenyl-2,3-dihydro-1,4-oxazine?
The InChIKey is FGHUQVLOVLLXOC-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H21NO3S/c1-18-12-14-21(15-13-18)28(25,26)24-16-23(20-10-6-3-7-11-20)27-17-22(24)19-8-4-2-5-9-19/h2-16,22H,17H2,1H3/t22-/m0/s1.
What are the key properties of (3R)-4-(4-methylphenyl)sulfonyl-3,6-diphenyl-2,3-dihydro-1,4-oxazine?
(3R)-4-(4-methylphenyl)sulfonyl-3,6-diphenyl-2,3-dihydro-1,4-oxazine has a molecular weight of 391.49 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(4-methylphenyl)sulfonyl-3,6-diphenyl-2,3-dihydro-1,4-oxazine is sourced from PubChem (CID 139044063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).