(3R,4S)-1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)-3-thiophen-2-ylsulfonylazetidin-2-one

C22H21NO4S2 — CID 155937048

IUPAC(3R,4S)-1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)-3-thiophen-2-ylsulfonylazetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@](C)(S(=O)(=O)c3cccs3)[C@@H]2c2ccc(C)cc2)cc1
InChIInChI=1S/C22H21NO4S2/c1-15-6-8-16(9-7-15)20-22(2,29(25,26)19-5-4-14-28-19)21(24)23(20)17-10-12-18(27-3)13-11-17/h4-14,20H,1-3H3/t20-,22+/m0/s1
InChIKeyJNCFSZAVLHYQNZ-RBBKRZOGSA-N
MW427.55 g/mol
LogP4.39
Rot. Bonds5

About (3R,4S)-1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)-3-thiophen-2-ylsulfonylazetidin-2-one

(3R,4S)-1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)-3-thiophen-2-ylsulfonylazetidin-2-one (PubChem CID 155937048) has the molecular formula C22H21NO4S2 and a molecular weight of 427.55 g/mol. Its IUPAC name is (3R,4S)-1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)-3-thiophen-2-ylsulfonylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)-3-thiophen-2-ylsulfonylazetidin-2-one
PubChem CID155937048
Molecular FormulaC22H21NO4S2
Molecular Weight427.55 g/mol
Exact Mass427.09
IUPAC Name(3R,4S)-1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)-3-thiophen-2-ylsulfonylazetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@](C)(S(=O)(=O)c3cccs3)[C@@H]2c2ccc(C)cc2)cc1
InChIInChI=1S/C22H21NO4S2/c1-15-6-8-16(9-7-15)20-22(2,29(25,26)19-5-4-14-28-19)21(24)23(20)17-10-12-18(27-3)13-11-17/h4-14,20H,1-3H3/t20-,22+/m0/s1
InChIKeyJNCFSZAVLHYQNZ-RBBKRZOGSA-N
XLogP4.39
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R,4S)-1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)-3-thiophen-2-ylsulfonylazetidin-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

1-(4-methoxyphenyl)-3,3-bis(4-methylphenyl)-4-thiophen-2-ylazetidin-2-one
CID 11647858
(4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 1217499
ethyl (2R)-2-hydroxy-2-[(2S,3S)-3-hydroxy-1-(4-methoxyphenyl)-2-(4-methylphenyl)-4-oxoazetidin-3-yl]acetate
CID 44519591
(4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one
CID 90667211
(4S)-4-(4-chlorophenyl)-3,3-difluoro-1-(4-methoxyphenyl)azetidin-2-one
CID 828811
(1S,4R)-2-(4-methoxyphenyl)-11-methyl-1-(4-methylphenyl)-2,11-diazadispiro[3.0.55.24]dodecane-3,12-dione
CID 175653518
1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)azetidin-2-one
CID 75219177
1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one
CID 2945930
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062
(3S,4R)-3-methoxy-1-(4-methoxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 102052302
3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 2868511
(4S)-1-(4-methoxyphenyl)-3,3-dimethyl-4-naphthalen-1-ylazetidin-2-one
CID 15260095

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)-3-thiophen-2-ylsulfonylazetidin-2-one?
The IUPAC name of (3R,4S)-1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)-3-thiophen-2-ylsulfonylazetidin-2-one (CID 155937048) is (3R,4S)-1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)-3-thiophen-2-ylsulfonylazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)-3-thiophen-2-ylsulfonylazetidin-2-one?
The canonical SMILES for (3R,4S)-1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)-3-thiophen-2-ylsulfonylazetidin-2-one is COc1ccc(N2C(=O)[C@](C)(S(=O)(=O)c3cccs3)[C@@H]2c2ccc(C)cc2)cc1.
What is the InChIKey of (3R,4S)-1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)-3-thiophen-2-ylsulfonylazetidin-2-one?
The InChIKey is JNCFSZAVLHYQNZ-RBBKRZOGSA-N. The full InChI is InChI=1S/C22H21NO4S2/c1-15-6-8-16(9-7-15)20-22(2,29(25,26)19-5-4-14-28-19)21(24)23(20)17-10-12-18(27-3)13-11-17/h4-14,20H,1-3H3/t20-,22+/m0/s1.
What are the key properties of (3R,4S)-1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)-3-thiophen-2-ylsulfonylazetidin-2-one?
(3R,4S)-1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)-3-thiophen-2-ylsulfonylazetidin-2-one has a molecular weight of 427.55 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)-3-thiophen-2-ylsulfonylazetidin-2-one is sourced from PubChem (CID 155937048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).