N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide

C22H24F2N2O3S — CID 176849170

IUPACN-[[1-[2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide
SMILESCC1(C(=O)N2CCC2CNS(C)(=O)=O)CC1c1ccccc1-c1c(F)cccc1F
InChIInChI=1S/C22H24F2N2O3S/c1-22(21(27)26-11-10-14(26)13-25-30(2,28)29)12-17(22)15-6-3-4-7-16(15)20-18(23)8-5-9-19(20)24/h3-9,14,17,25H,10-13H2,1-2H3
InChIKeyGDAYCCPSTUVGLP-UHFFFAOYSA-N
MW434.51 g/mol
LogP3.28
Rot. Bonds6

About N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide

N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide (PubChem CID 176849170) has the molecular formula C22H24F2N2O3S and a molecular weight of 434.51 g/mol. Its IUPAC name is N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide
PubChem CID176849170
Molecular FormulaC22H24F2N2O3S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC NameN-[[1-[2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide
SMILESCC1(C(=O)N2CCC2CNS(C)(=O)=O)CC1c1ccccc1-c1c(F)cccc1F
InChIInChI=1S/C22H24F2N2O3S/c1-22(21(27)26-11-10-14(26)13-25-30(2,28)29)12-17(22)15-6-3-4-7-16(15)20-18(23)8-5-9-19(20)24/h3-9,14,17,25H,10-13H2,1-2H3
InChIKeyGDAYCCPSTUVGLP-UHFFFAOYSA-N
XLogP3.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S)-1-[2-[2-(2,6-difluorophenyl)-4-fluorophenyl]-1-(methoxymethyl)cyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide
CID 176848489
N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]azetidin-2-yl]methyl]cyclopropanesulfonamide
CID 176848720
1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-2-[(sulfinamoylamino)methyl]azetidine
CID 170293937
N-[(3R)-1-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-3-methylpyrrolidin-3-yl]methanesulfonamide
CID 176849050
N-[(1R,5S)-3-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanesulfonamide
CID 176848998
N-[1-[1-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]azetidin-2-yl]ethyl]ethanesulfonamide
CID 174141718
N-[[(2R,3R)-3-acetyl-1-[(1S,2S)-2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide
CID 176848575
N-[[(2R,3R)-1-[(1S,2S)-2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropanecarbonyl]-3-ethylazetidin-2-yl]methyl]methanesulfonamide
CID 176849067
N-[(1S)-1-[(2S)-1-[(1S,2S)-2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropanecarbonyl]azetidin-2-yl]ethyl]methanesulfonamide
CID 169240120
N-[(3S)-1-[2-[2-(2,6-difluorophenyl)phenyl]-3-methylcyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 176848233
1-(4-aminoazepane-1-carbonyl)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropane-1-carbonitrile
CID 169240329
2-(2-fluorophenyl)-1-methylcyclopropane-1-carboxylic acid
CID 82112065

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide (CID 176849170) is N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide is CC1(C(=O)N2CCC2CNS(C)(=O)=O)CC1c1ccccc1-c1c(F)cccc1F.
What is the InChIKey of N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide?
The InChIKey is GDAYCCPSTUVGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O3S/c1-22(21(27)26-11-10-14(26)13-25-30(2,28)29)12-17(22)15-6-3-4-7-16(15)20-18(23)8-5-9-19(20)24/h3-9,14,17,25H,10-13H2,1-2H3.
What are the key properties of N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide?
N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide has a molecular weight of 434.51 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 176849170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).