N-[[2-(difluoromethoxy)phenyl]methyl]-3-methylsulfonylazetidine-1-carboxamide

C13H16F2N2O4S — CID 122154861

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-3-methylsulfonylazetidine-1-carboxamide
SMILESCS(=O)(=O)C1CN(C(=O)NCc2ccccc2OC(F)F)C1
InChIInChI=1S/C13H16F2N2O4S/c1-22(19,20)10-7-17(8-10)13(18)16-6-9-4-2-3-5-11(9)21-12(14)15/h2-5,10,12H,6-8H2,1H3,(H,16,18)
InChIKeyCYIVMLMQQIFSOD-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.23
Rot. Bonds5

About N-[[2-(difluoromethoxy)phenyl]methyl]-3-methylsulfonylazetidine-1-carboxamide

N-[[2-(difluoromethoxy)phenyl]methyl]-3-methylsulfonylazetidine-1-carboxamide (PubChem CID 122154861) has the molecular formula C13H16F2N2O4S and a molecular weight of 334.34 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-3-methylsulfonylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-3-methylsulfonylazetidine-1-carboxamide
PubChem CID122154861
Molecular FormulaC13H16F2N2O4S
Molecular Weight334.34 g/mol
Exact Mass334.08
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-3-methylsulfonylazetidine-1-carboxamide
SMILESCS(=O)(=O)C1CN(C(=O)NCc2ccccc2OC(F)F)C1
InChIInChI=1S/C13H16F2N2O4S/c1-22(19,20)10-7-17(8-10)13(18)16-6-9-4-2-3-5-11(9)21-12(14)15/h2-5,10,12H,6-8H2,1H3,(H,16,18)
InChIKeyCYIVMLMQQIFSOD-UHFFFAOYSA-N
XLogP1.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidine-1-carboxamide
CID 110895568
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-sulfamoylpropyl)urea
CID 131961772
N-[[2-(difluoromethoxy)phenyl]methyl]-2-phenylpyrrolidine-1-carboxamide
CID 87003187
N-[[2-(difluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 30311436
N-[[2-(difluoromethoxy)phenyl]methyl]imidazole-1-carboxamide
CID 81257132
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(5-methylhexan-2-yl)urea
CID 78833839
N-[[2-(difluoromethoxy)phenyl]methyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109443868
(2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide
CID 103929683
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855904
N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide
CID 28651324
tert-butyl 3-[[N-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylcarbamimidoyl]amino]azetidine-1-carboxylate
CID 109465652
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 41368824

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-3-methylsulfonylazetidine-1-carboxamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-3-methylsulfonylazetidine-1-carboxamide (CID 122154861) is N-[[2-(difluoromethoxy)phenyl]methyl]-3-methylsulfonylazetidine-1-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-3-methylsulfonylazetidine-1-carboxamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-3-methylsulfonylazetidine-1-carboxamide is CS(=O)(=O)C1CN(C(=O)NCc2ccccc2OC(F)F)C1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-3-methylsulfonylazetidine-1-carboxamide?
The InChIKey is CYIVMLMQQIFSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O4S/c1-22(19,20)10-7-17(8-10)13(18)16-6-9-4-2-3-5-11(9)21-12(14)15/h2-5,10,12H,6-8H2,1H3,(H,16,18).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-3-methylsulfonylazetidine-1-carboxamide?
N-[[2-(difluoromethoxy)phenyl]methyl]-3-methylsulfonylazetidine-1-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-3-methylsulfonylazetidine-1-carboxamide is sourced from PubChem (CID 122154861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).