1-(2,2-difluoroethyl)-N-[(1-ethylsulfonylcyclopropyl)methyl]cyclobutane-1-carboxamide

C13H21F2NO3S — CID 166260815

IUPAC1-(2,2-difluoroethyl)-N-[(1-ethylsulfonylcyclopropyl)methyl]cyclobutane-1-carboxamide
SMILESCCS(=O)(=O)C1(CNC(=O)C2(CC(F)F)CCC2)CC1
InChIInChI=1S/C13H21F2NO3S/c1-2-20(18,19)13(6-7-13)9-16-11(17)12(4-3-5-12)8-10(14)15/h10H,2-9H2,1H3,(H,16,17)
InChIKeyDBNUHWOSFLEALU-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.90
Rot. Bonds7

About 1-(2,2-difluoroethyl)-N-[(1-ethylsulfonylcyclopropyl)methyl]cyclobutane-1-carboxamide

1-(2,2-difluoroethyl)-N-[(1-ethylsulfonylcyclopropyl)methyl]cyclobutane-1-carboxamide (PubChem CID 166260815) has the molecular formula C13H21F2NO3S and a molecular weight of 309.38 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[(1-ethylsulfonylcyclopropyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[(1-ethylsulfonylcyclopropyl)methyl]cyclobutane-1-carboxamide
PubChem CID166260815
Molecular FormulaC13H21F2NO3S
Molecular Weight309.38 g/mol
Exact Mass309.12
IUPAC Name1-(2,2-difluoroethyl)-N-[(1-ethylsulfonylcyclopropyl)methyl]cyclobutane-1-carboxamide
SMILESCCS(=O)(=O)C1(CNC(=O)C2(CC(F)F)CCC2)CC1
InChIInChI=1S/C13H21F2NO3S/c1-2-20(18,19)13(6-7-13)9-16-11(17)12(4-3-5-12)8-10(14)15/h10H,2-9H2,1H3,(H,16,17)
InChIKeyDBNUHWOSFLEALU-UHFFFAOYSA-N
XLogP1.90
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-difluoroethyl)-N-[(1-ethylsulfonylcyclopropyl)methyl]cyclobutane-1-carboxamide 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 1-(2,2-difluoroethyl)-N-[(1-ethylsulfonylcyclopropyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[(1-ethylsulfonylcyclopropyl)methyl]cyclobutane-1-carboxamide (CID 166260815) is 1-(2,2-difluoroethyl)-N-[(1-ethylsulfonylcyclopropyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[(1-ethylsulfonylcyclopropyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[(1-ethylsulfonylcyclopropyl)methyl]cyclobutane-1-carboxamide is CCS(=O)(=O)C1(CNC(=O)C2(CC(F)F)CCC2)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[(1-ethylsulfonylcyclopropyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is DBNUHWOSFLEALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO3S/c1-2-20(18,19)13(6-7-13)9-16-11(17)12(4-3-5-12)8-10(14)15/h10H,2-9H2,1H3,(H,16,17).
What are the key properties of 1-(2,2-difluoroethyl)-N-[(1-ethylsulfonylcyclopropyl)methyl]cyclobutane-1-carboxamide?
1-(2,2-difluoroethyl)-N-[(1-ethylsulfonylcyclopropyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 309.38 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[(1-ethylsulfonylcyclopropyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 166260815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).