N-[[(2S)-1-[2-[2-(2,6-difluorophenyl)-4-fluorophenyl]-1-(methoxymethyl)cyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide

C23H25F3N2O4S — CID 176848489

IUPACN-[[(2S)-1-[2-[2-(2,6-difluorophenyl)-4-fluorophenyl]-1-(methoxymethyl)cyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide
SMILESCOCC1(C(=O)N2CC[C@H]2CNS(C)(=O)=O)CC1c1ccc(F)cc1-c1c(F)cccc1F
InChIInChI=1S/C23H25F3N2O4S/c1-32-13-23(22(29)28-9-8-15(28)12-27-33(2,30)31)11-18(23)16-7-6-14(24)10-17(16)21-19(25)4-3-5-20(21)26/h3-7,10,15,18,27H,8-9,11-13H2,1-2H3/t15-,18?,23?/m0/s1
InChIKeyFKTGWYBXWIBMHO-AQPJMAJASA-N
MW482.52 g/mol
LogP3.04
Rot. Bonds8

About N-[[(2S)-1-[2-[2-(2,6-difluorophenyl)-4-fluorophenyl]-1-(methoxymethyl)cyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide

N-[[(2S)-1-[2-[2-(2,6-difluorophenyl)-4-fluorophenyl]-1-(methoxymethyl)cyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide (PubChem CID 176848489) has the molecular formula C23H25F3N2O4S and a molecular weight of 482.52 g/mol. Its IUPAC name is N-[[(2S)-1-[2-[2-(2,6-difluorophenyl)-4-fluorophenyl]-1-(methoxymethyl)cyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(2S)-1-[2-[2-(2,6-difluorophenyl)-4-fluorophenyl]-1-(methoxymethyl)cyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide
PubChem CID176848489
Molecular FormulaC23H25F3N2O4S
Molecular Weight482.52 g/mol
Exact Mass482.15
IUPAC NameN-[[(2S)-1-[2-[2-(2,6-difluorophenyl)-4-fluorophenyl]-1-(methoxymethyl)cyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide
SMILESCOCC1(C(=O)N2CC[C@H]2CNS(C)(=O)=O)CC1c1ccc(F)cc1-c1c(F)cccc1F
InChIInChI=1S/C23H25F3N2O4S/c1-32-13-23(22(29)28-9-8-15(28)12-27-33(2,30)31)11-18(23)16-7-6-14(24)10-17(16)21-19(25)4-3-5-20(21)26/h3-7,10,15,18,27H,8-9,11-13H2,1-2H3/t15-,18?,23?/m0/s1
InChIKeyFKTGWYBXWIBMHO-AQPJMAJASA-N
XLogP3.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(2S)-1-[2-[2-(2,6-difluorophenyl)-4-fluorophenyl]-1-(methoxymethyl)cyclopropanecarbonyl]azetidin-2-yl]methyl]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-[[(2S)-1-[2-[2-(2,6-difluorophenyl)-4-fluorophenyl]-1-(methoxymethyl)cyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(2S)-1-[2-[2-(2,6-difluorophenyl)-4-fluorophenyl]-1-(methoxymethyl)cyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide (CID 176848489) is N-[[(2S)-1-[2-[2-(2,6-difluorophenyl)-4-fluorophenyl]-1-(methoxymethyl)cyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(2S)-1-[2-[2-(2,6-difluorophenyl)-4-fluorophenyl]-1-(methoxymethyl)cyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(2S)-1-[2-[2-(2,6-difluorophenyl)-4-fluorophenyl]-1-(methoxymethyl)cyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide is COCC1(C(=O)N2CC[C@H]2CNS(C)(=O)=O)CC1c1ccc(F)cc1-c1c(F)cccc1F.
What is the InChIKey of N-[[(2S)-1-[2-[2-(2,6-difluorophenyl)-4-fluorophenyl]-1-(methoxymethyl)cyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide?
The InChIKey is FKTGWYBXWIBMHO-AQPJMAJASA-N. The full InChI is InChI=1S/C23H25F3N2O4S/c1-32-13-23(22(29)28-9-8-15(28)12-27-33(2,30)31)11-18(23)16-7-6-14(24)10-17(16)21-19(25)4-3-5-20(21)26/h3-7,10,15,18,27H,8-9,11-13H2,1-2H3/t15-,18?,23?/m0/s1.
What are the key properties of N-[[(2S)-1-[2-[2-(2,6-difluorophenyl)-4-fluorophenyl]-1-(methoxymethyl)cyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide?
N-[[(2S)-1-[2-[2-(2,6-difluorophenyl)-4-fluorophenyl]-1-(methoxymethyl)cyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide has a molecular weight of 482.52 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-[2-[2-(2,6-difluorophenyl)-4-fluorophenyl]-1-(methoxymethyl)cyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 176848489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).