8-methoxy-3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-3-benzazepin-2-one

C24H23NO4S — CID 155907231

IUPAC8-methoxy-3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-3-benzazepin-2-one
SMILESCOc1ccc2c(c1)CC(=O)N(S(=O)(=O)c1ccc(C)cc1)CC2c1ccccc1
InChIInChI=1S/C24H23NO4S/c1-17-8-11-21(12-9-17)30(27,28)25-16-23(18-6-4-3-5-7-18)22-13-10-20(29-2)14-19(22)15-24(25)26/h3-14,23H,15-16H2,1-2H3
InChIKeyLEJKZIPRZXJKIN-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.91
Rot. Bonds4

About 8-methoxy-3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-3-benzazepin-2-one

8-methoxy-3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-3-benzazepin-2-one (PubChem CID 155907231) has the molecular formula C24H23NO4S and a molecular weight of 421.52 g/mol. Its IUPAC name is 8-methoxy-3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-3-benzazepin-2-one.

Molecular Properties

Compound Name8-methoxy-3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-3-benzazepin-2-one
PubChem CID155907231
Molecular FormulaC24H23NO4S
Molecular Weight421.52 g/mol
Exact Mass421.13
IUPAC Name8-methoxy-3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-3-benzazepin-2-one
SMILESCOc1ccc2c(c1)CC(=O)N(S(=O)(=O)c1ccc(C)cc1)CC2c1ccccc1
InChIInChI=1S/C24H23NO4S/c1-17-8-11-21(12-9-17)30(27,28)25-16-23(18-6-4-3-5-7-18)22-13-10-20(29-2)14-19(22)15-24(25)26/h3-14,23H,15-16H2,1-2H3
InChIKeyLEJKZIPRZXJKIN-UHFFFAOYSA-N
XLogP3.91
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-methoxy-3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-3-benzazepin-2-one 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

3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-benzo[g][3]benzazepin-2-one
CID 155907204
5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-phenyl-1,2-dihydro-3-benzazepin-4-one
CID 155907249
(4R)-6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 132567914
(3R,4S)-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidine
CID 102182418
5-methoxy-2-(4-methylphenyl)sulfonyl-3-phenyl-3H-isoindol-1-one
CID 76517658
4-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole
CID 54671505
5-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydro-2-benzazepine
CID 50916592
5-methoxy-1-phenyl-1,3-dihydroinden-2-one
CID 14640420
(3-methoxyphenyl)-phenyliodanium;4-methylbenzenesulfonate
CID 10528781
(2S,3S)-3-ethenyl-6-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydroindole
CID 164667656
8-methoxy-5-phenyl-1,2,4,5-tetrahydro-2-benzazepin-3-one
CID 102581392
1-(benzenesulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline
CID 110663002

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-3-benzazepin-2-one?
The IUPAC name of 8-methoxy-3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-3-benzazepin-2-one (CID 155907231) is 8-methoxy-3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-3-benzazepin-2-one.
What is the SMILES notation for 8-methoxy-3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-3-benzazepin-2-one?
The canonical SMILES for 8-methoxy-3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-3-benzazepin-2-one is COc1ccc2c(c1)CC(=O)N(S(=O)(=O)c1ccc(C)cc1)CC2c1ccccc1.
What is the InChIKey of 8-methoxy-3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-3-benzazepin-2-one?
The InChIKey is LEJKZIPRZXJKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4S/c1-17-8-11-21(12-9-17)30(27,28)25-16-23(18-6-4-3-5-7-18)22-13-10-20(29-2)14-19(22)15-24(25)26/h3-14,23H,15-16H2,1-2H3.
What are the key properties of 8-methoxy-3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-3-benzazepin-2-one?
8-methoxy-3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-3-benzazepin-2-one has a molecular weight of 421.52 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-3-benzazepin-2-one is sourced from PubChem (CID 155907231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).