3-[4-(difluoromethoxy)phenyl]-N-methylsulfonylpropanamide

C11H13F2NO4S — CID 146154209

IUPAC3-[4-(difluoromethoxy)phenyl]-N-methylsulfonylpropanamide
SMILESCS(=O)(=O)NC(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C11H13F2NO4S/c1-19(16,17)14-10(15)7-4-8-2-5-9(6-3-8)18-11(12)13/h2-3,5-6,11H,4,7H2,1H3,(H,14,15)
InChIKeyPXLRLCOHRXCECJ-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.30
Rot. Bonds6

About 3-[4-(difluoromethoxy)phenyl]-N-methylsulfonylpropanamide

3-[4-(difluoromethoxy)phenyl]-N-methylsulfonylpropanamide (PubChem CID 146154209) has the molecular formula C11H13F2NO4S and a molecular weight of 293.29 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-methylsulfonylpropanamide
PubChem CID146154209
Molecular FormulaC11H13F2NO4S
Molecular Weight293.29 g/mol
Exact Mass293.05
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-methylsulfonylpropanamide
SMILESCS(=O)(=O)NC(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C11H13F2NO4S/c1-19(16,17)14-10(15)7-4-8-2-5-9(6-3-8)18-11(12)13/h2-3,5-6,11H,4,7H2,1H3,(H,14,15)
InChIKeyPXLRLCOHRXCECJ-UHFFFAOYSA-N
XLogP1.30
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide
CID 110886635
2-[3-[4-(difluoromethoxy)phenyl]propanoylamino]propanoic acid
CID 119225804
N-[4-(difluoromethoxy)phenyl]-3-(4-ethylphenyl)propanamide
CID 9427794
N-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide
CID 120507742
N-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide
CID 119523960
N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide
CID 86922848
N-(3-amino-2-methylpropyl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119998237
N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502657
N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119549007
N-[3-(aminomethyl)pentan-3-yl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119571012
N-(4-bromo-2,6-dimethylphenyl)-3-[4-(difluoromethoxy)phenyl]propanamide
CID 112835584
3-[4-(difluoromethoxy)phenyl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 86922885

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-methylsulfonylpropanamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-methylsulfonylpropanamide (CID 146154209) is 3-[4-(difluoromethoxy)phenyl]-N-methylsulfonylpropanamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-methylsulfonylpropanamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-methylsulfonylpropanamide is CS(=O)(=O)NC(=O)CCc1ccc(OC(F)F)cc1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-methylsulfonylpropanamide?
The InChIKey is PXLRLCOHRXCECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO4S/c1-19(16,17)14-10(15)7-4-8-2-5-9(6-3-8)18-11(12)13/h2-3,5-6,11H,4,7H2,1H3,(H,14,15).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-methylsulfonylpropanamide?
3-[4-(difluoromethoxy)phenyl]-N-methylsulfonylpropanamide has a molecular weight of 293.29 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-methylsulfonylpropanamide is sourced from PubChem (CID 146154209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).