(3R,4S)-1-ethyl-3-(2-fluorophenyl)sulfonyl-3-methyl-4-(4-methylphenyl)azetidin-2-one

C19H20FNO3S — CID 155937046

IUPAC(3R,4S)-1-ethyl-3-(2-fluorophenyl)sulfonyl-3-methyl-4-(4-methylphenyl)azetidin-2-one
SMILESCCN1C(=O)[C@](C)(S(=O)(=O)c2ccccc2F)[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C19H20FNO3S/c1-4-21-17(14-11-9-13(2)10-12-14)19(3,18(21)22)25(23,24)16-8-6-5-7-15(16)20/h5-12,17H,4H2,1-3H3/t17-,19+/m0/s1
InChIKeyMQTOAMFIBMQTKY-PKOBYXMFSA-N
MW361.44 g/mol
LogP3.27
Rot. Bonds4

About (3R,4S)-1-ethyl-3-(2-fluorophenyl)sulfonyl-3-methyl-4-(4-methylphenyl)azetidin-2-one

(3R,4S)-1-ethyl-3-(2-fluorophenyl)sulfonyl-3-methyl-4-(4-methylphenyl)azetidin-2-one (PubChem CID 155937046) has the molecular formula C19H20FNO3S and a molecular weight of 361.44 g/mol. Its IUPAC name is (3R,4S)-1-ethyl-3-(2-fluorophenyl)sulfonyl-3-methyl-4-(4-methylphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-ethyl-3-(2-fluorophenyl)sulfonyl-3-methyl-4-(4-methylphenyl)azetidin-2-one
PubChem CID155937046
Molecular FormulaC19H20FNO3S
Molecular Weight361.44 g/mol
Exact Mass361.11
IUPAC Name(3R,4S)-1-ethyl-3-(2-fluorophenyl)sulfonyl-3-methyl-4-(4-methylphenyl)azetidin-2-one
SMILESCCN1C(=O)[C@](C)(S(=O)(=O)c2ccccc2F)[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C19H20FNO3S/c1-4-21-17(14-11-9-13(2)10-12-14)19(3,18(21)22)25(23,24)16-8-6-5-7-15(16)20/h5-12,17H,4H2,1-3H3/t17-,19+/m0/s1
InChIKeyMQTOAMFIBMQTKY-PKOBYXMFSA-N
XLogP3.27
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-1-ethyl-3-(2-fluorophenyl)sulfonyl-3-methyl-4-(4-methylphenyl)azetidin-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

N-[(3S,4R)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-N-methyl-2-(4-methylsulfonylphenyl)acetamide
CID 53469852
N-ethyl-2-(4-methylsulfonylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 70680969
2-(3-fluoro-4-methylsulfonylphenyl)-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 70685174
2-(2-fluoro-4-methylsulfonylphenyl)-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 70687331
N-methyl-2-(4-methylsulfonylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 70691486
(S)-2-Benzyl-4-oxo-azetidine-1-carboxylic acid methyl-(4-trifluoromethanesulfonyl-benzyl)-amide
CID 10599222
(S)-2-Benzyl-4-oxo-azetidine-1-carboxylic acid methyl-(4-trifluoromethanesulfinyl-benzyl)-amide
CID 10812244
(2R)-2-benzyl-N-methyl-4-oxo-N-[[4-(trifluoromethylsulfinyl)phenyl]methyl]azetidine-1-carboxamide
CID 482411
(2R)-2-benzyl-N-methyl-4-oxo-N-[[4-(trifluoromethylsulfonyl)phenyl]methyl]azetidine-1-carboxamide
CID 482412
Rel-(3R,4S)-1-benzyl-3-[(4-fluorophenyl)sulfonyl]-3-methyl-4-phenyl-2-azetidinone
CID 155937028
(3R,4S)-1-benzyl-3-(4-fluorophenyl)-4-(4-methylphenyl)-3-(4-methylphenyl)sulfonylazetidin-2-one
CID 155937030
Rel-(3R,4S)-4-(4-fluorophenyl)-3-[(2-fluorophenyl)sulfonyl]-3-methyl-1-(4-methylphenyl)-2-azetidinone
CID 155937042

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-ethyl-3-(2-fluorophenyl)sulfonyl-3-methyl-4-(4-methylphenyl)azetidin-2-one?
The IUPAC name of (3R,4S)-1-ethyl-3-(2-fluorophenyl)sulfonyl-3-methyl-4-(4-methylphenyl)azetidin-2-one (CID 155937046) is (3R,4S)-1-ethyl-3-(2-fluorophenyl)sulfonyl-3-methyl-4-(4-methylphenyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-1-ethyl-3-(2-fluorophenyl)sulfonyl-3-methyl-4-(4-methylphenyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-1-ethyl-3-(2-fluorophenyl)sulfonyl-3-methyl-4-(4-methylphenyl)azetidin-2-one is CCN1C(=O)[C@](C)(S(=O)(=O)c2ccccc2F)[C@@H]1c1ccc(C)cc1.
What is the InChIKey of (3R,4S)-1-ethyl-3-(2-fluorophenyl)sulfonyl-3-methyl-4-(4-methylphenyl)azetidin-2-one?
The InChIKey is MQTOAMFIBMQTKY-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H20FNO3S/c1-4-21-17(14-11-9-13(2)10-12-14)19(3,18(21)22)25(23,24)16-8-6-5-7-15(16)20/h5-12,17H,4H2,1-3H3/t17-,19+/m0/s1.
What are the key properties of (3R,4S)-1-ethyl-3-(2-fluorophenyl)sulfonyl-3-methyl-4-(4-methylphenyl)azetidin-2-one?
(3R,4S)-1-ethyl-3-(2-fluorophenyl)sulfonyl-3-methyl-4-(4-methylphenyl)azetidin-2-one has a molecular weight of 361.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-ethyl-3-(2-fluorophenyl)sulfonyl-3-methyl-4-(4-methylphenyl)azetidin-2-one is sourced from PubChem (CID 155937046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).