N-[(1R)-1-[(2S,3R)-1-[(1S,2S)-2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropanecarbonyl]-3-methylazetidin-2-yl]ethyl]methanesulfonamide

C23H25F3N2O3S — CID 176848871

IUPACN-[(1R)-1-[(2S,3R)-1-[(1S,2S)-2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropanecarbonyl]-3-methylazetidin-2-yl]ethyl]methanesulfonamide
SMILESC[C@@H]1CN(C(=O)[C@@H]2C[C@@]2(F)c2ccccc2-c2c(F)cccc2F)[C@@H]1[C@@H](C)NS(C)(=O)=O
InChIInChI=1S/C23H25F3N2O3S/c1-13-12-28(21(13)14(2)27-32(3,30)31)22(29)17-11-23(17,26)16-8-5-4-7-15(16)20-18(24)9-6-10-19(20)25/h4-10,13-14,17,21,27H,11-12H2,1-3H3/t13-,14-,17+,21+,23-/m1/s1
InChIKeyYAIPYJIKAHYHMB-XEITUMNFSA-N
MW466.53 g/mol
LogP3.60
Rot. Bonds6

About N-[(1R)-1-[(2S,3R)-1-[(1S,2S)-2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropanecarbonyl]-3-methylazetidin-2-yl]ethyl]methanesulfonamide

N-[(1R)-1-[(2S,3R)-1-[(1S,2S)-2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropanecarbonyl]-3-methylazetidin-2-yl]ethyl]methanesulfonamide (PubChem CID 176848871) has the molecular formula C23H25F3N2O3S and a molecular weight of 466.53 g/mol. Its IUPAC name is N-[(1R)-1-[(2S,3R)-1-[(1S,2S)-2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropanecarbonyl]-3-methylazetidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[(2S,3R)-1-[(1S,2S)-2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropanecarbonyl]-3-methylazetidin-2-yl]ethyl]methanesulfonamide
PubChem CID176848871
Molecular FormulaC23H25F3N2O3S
Molecular Weight466.53 g/mol
Exact Mass466.15
IUPAC NameN-[(1R)-1-[(2S,3R)-1-[(1S,2S)-2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropanecarbonyl]-3-methylazetidin-2-yl]ethyl]methanesulfonamide
SMILESC[C@@H]1CN(C(=O)[C@@H]2C[C@@]2(F)c2ccccc2-c2c(F)cccc2F)[C@@H]1[C@@H](C)NS(C)(=O)=O
InChIInChI=1S/C23H25F3N2O3S/c1-13-12-28(21(13)14(2)27-32(3,30)31)22(29)17-11-23(17,26)16-8-5-4-7-15(16)20-18(24)9-6-10-19(20)25/h4-10,13-14,17,21,27H,11-12H2,1-3H3/t13-,14-,17+,21+,23-/m1/s1
InChIKeyYAIPYJIKAHYHMB-XEITUMNFSA-N
XLogP3.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-[(2S,3R)-1-[(1S,2S)-2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropanecarbonyl]-3-methylazetidin-2-yl]ethyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(2S,3R)-1-[(1S,2S)-2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropanecarbonyl]-3-methylazetidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[(1R)-1-[(2S,3R)-1-[(1S,2S)-2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropanecarbonyl]-3-methylazetidin-2-yl]ethyl]methanesulfonamide (CID 176848871) is N-[(1R)-1-[(2S,3R)-1-[(1S,2S)-2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropanecarbonyl]-3-methylazetidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[(1R)-1-[(2S,3R)-1-[(1S,2S)-2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropanecarbonyl]-3-methylazetidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[(1R)-1-[(2S,3R)-1-[(1S,2S)-2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropanecarbonyl]-3-methylazetidin-2-yl]ethyl]methanesulfonamide is C[C@@H]1CN(C(=O)[C@@H]2C[C@@]2(F)c2ccccc2-c2c(F)cccc2F)[C@@H]1[C@@H](C)NS(C)(=O)=O.
What is the InChIKey of N-[(1R)-1-[(2S,3R)-1-[(1S,2S)-2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropanecarbonyl]-3-methylazetidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is YAIPYJIKAHYHMB-XEITUMNFSA-N. The full InChI is InChI=1S/C23H25F3N2O3S/c1-13-12-28(21(13)14(2)27-32(3,30)31)22(29)17-11-23(17,26)16-8-5-4-7-15(16)20-18(24)9-6-10-19(20)25/h4-10,13-14,17,21,27H,11-12H2,1-3H3/t13-,14-,17+,21+,23-/m1/s1.
What are the key properties of N-[(1R)-1-[(2S,3R)-1-[(1S,2S)-2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropanecarbonyl]-3-methylazetidin-2-yl]ethyl]methanesulfonamide?
N-[(1R)-1-[(2S,3R)-1-[(1S,2S)-2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropanecarbonyl]-3-methylazetidin-2-yl]ethyl]methanesulfonamide has a molecular weight of 466.53 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(2S,3R)-1-[(1S,2S)-2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropanecarbonyl]-3-methylazetidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 176848871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).