2-(azetidin-3-yl)-N-[4-(difluoromethylsulfonyl)phenyl]propanamide

C13H16F2N2O3S — CID 116675283

IUPAC2-(azetidin-3-yl)-N-[4-(difluoromethylsulfonyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CNC1
InChIInChI=1S/C13H16F2N2O3S/c1-8(9-6-16-7-9)12(18)17-10-2-4-11(5-3-10)21(19,20)13(14)15/h2-5,8-9,13,16H,6-7H2,1H3,(H,17,18)
InChIKeyAHOLFFVDUIZRAT-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.48
Rot. Bonds5

About 2-(azetidin-3-yl)-N-[4-(difluoromethylsulfonyl)phenyl]propanamide

2-(azetidin-3-yl)-N-[4-(difluoromethylsulfonyl)phenyl]propanamide (PubChem CID 116675283) has the molecular formula C13H16F2N2O3S and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[4-(difluoromethylsulfonyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[4-(difluoromethylsulfonyl)phenyl]propanamide
PubChem CID116675283
Molecular FormulaC13H16F2N2O3S
Molecular Weight318.35 g/mol
Exact Mass318.08
IUPAC Name2-(azetidin-3-yl)-N-[4-(difluoromethylsulfonyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CNC1
InChIInChI=1S/C13H16F2N2O3S/c1-8(9-6-16-7-9)12(18)17-10-2-4-11(5-3-10)21(19,20)13(14)15/h2-5,8-9,13,16H,6-7H2,1H3,(H,17,18)
InChIKeyAHOLFFVDUIZRAT-UHFFFAOYSA-N
XLogP1.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 116675266
N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide
CID 116674626
2-(azetidin-3-yl)-N-(4-phenylphenyl)propanamide
CID 116675538
methyl N-[4-[2-(azetidin-3-yl)propanoylamino]phenyl]carbamate
CID 116675796
2-(azetidin-3-yl)-N-[4-(sulfamoylmethyl)phenyl]propanamide
CID 116675714
2-(azetidin-3-yl)-N-[4-(propanoylamino)phenyl]propanamide
CID 116675582
N-[4-(difluoromethylsulfonyl)phenyl]-2-methoxypropanamide
CID 47301190
2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide
CID 116674524
2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 116675831
2-(azetidin-3-yl)-N-[4-(2-methoxyethoxy)phenyl]propanamide
CID 116675843
2-amino-N-[4-(difluoromethylsulfonyl)phenyl]-3,3-dimethylbutanamide
CID 76887895
4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 26898710

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[4-(difluoromethylsulfonyl)phenyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[4-(difluoromethylsulfonyl)phenyl]propanamide (CID 116675283) is 2-(azetidin-3-yl)-N-[4-(difluoromethylsulfonyl)phenyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[4-(difluoromethylsulfonyl)phenyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[4-(difluoromethylsulfonyl)phenyl]propanamide is CC(C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[4-(difluoromethylsulfonyl)phenyl]propanamide?
The InChIKey is AHOLFFVDUIZRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3S/c1-8(9-6-16-7-9)12(18)17-10-2-4-11(5-3-10)21(19,20)13(14)15/h2-5,8-9,13,16H,6-7H2,1H3,(H,17,18).
What are the key properties of 2-(azetidin-3-yl)-N-[4-(difluoromethylsulfonyl)phenyl]propanamide?
2-(azetidin-3-yl)-N-[4-(difluoromethylsulfonyl)phenyl]propanamide has a molecular weight of 318.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[4-(difluoromethylsulfonyl)phenyl]propanamide is sourced from PubChem (CID 116675283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).