N-[4-(difluoromethylsulfonyl)phenyl]-2-methoxypropanamide

C11H13F2NO4S — CID 47301190

IUPACN-[4-(difluoromethylsulfonyl)phenyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C11H13F2NO4S/c1-7(18-2)10(15)14-8-3-5-9(6-4-8)19(16,17)11(12)13/h3-7,11H,1-2H3,(H,14,15)
InChIKeyGMNVQBFAXQTMNU-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.66
Rot. Bonds5

About N-[4-(difluoromethylsulfonyl)phenyl]-2-methoxypropanamide

N-[4-(difluoromethylsulfonyl)phenyl]-2-methoxypropanamide (PubChem CID 47301190) has the molecular formula C11H13F2NO4S and a molecular weight of 293.29 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfonyl)phenyl]-2-methoxypropanamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfonyl)phenyl]-2-methoxypropanamide
PubChem CID47301190
Molecular FormulaC11H13F2NO4S
Molecular Weight293.29 g/mol
Exact Mass293.05
IUPAC NameN-[4-(difluoromethylsulfonyl)phenyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C11H13F2NO4S/c1-7(18-2)10(15)14-8-3-5-9(6-4-8)19(16,17)11(12)13/h3-7,11H,1-2H3,(H,14,15)
InChIKeyGMNVQBFAXQTMNU-UHFFFAOYSA-N
XLogP1.66
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(difluoromethylsulfonyl)phenyl]-2-methoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-(4-methylsulfonylphenyl)propanamide
CID 47300837
2-amino-N-[4-(difluoromethylsulfonyl)phenyl]-3,3-dimethylbutanamide
CID 76887895
[(2R)-1-[4-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 4-(difluoromethylsulfonyl)benzoate
CID 2669904
4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 26898710
N-[4-[[4-(difluoromethylsulfonyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2454469
2-(azetidin-3-yl)-N-[4-(difluoromethylsulfonyl)phenyl]propanamide
CID 116675283
(2R)-2-[4-(difluoromethylsulfonyl)anilino]-N-methylpropanamide
CID 133429366
N-[4-(carbamoylamino)phenyl]-2-methoxypropanamide
CID 47311851
N-[4-(difluoromethylsulfonyl)phenyl]-3,5-dimethoxybenzamide
CID 2671265
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 4-(difluoromethylsulfonyl)benzoate
CID 42899760
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
(2S)-N-[4-(cyclopentylsulfamoyl)phenyl]-2-methoxypropanamide
CID 124730678

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-2-methoxypropanamide?
The IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-2-methoxypropanamide (CID 47301190) is N-[4-(difluoromethylsulfonyl)phenyl]-2-methoxypropanamide.
What is the SMILES notation for N-[4-(difluoromethylsulfonyl)phenyl]-2-methoxypropanamide?
The canonical SMILES for N-[4-(difluoromethylsulfonyl)phenyl]-2-methoxypropanamide is COC(C)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfonyl)phenyl]-2-methoxypropanamide?
The InChIKey is GMNVQBFAXQTMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO4S/c1-7(18-2)10(15)14-8-3-5-9(6-4-8)19(16,17)11(12)13/h3-7,11H,1-2H3,(H,14,15).
What are the key properties of N-[4-(difluoromethylsulfonyl)phenyl]-2-methoxypropanamide?
N-[4-(difluoromethylsulfonyl)phenyl]-2-methoxypropanamide has a molecular weight of 293.29 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfonyl)phenyl]-2-methoxypropanamide is sourced from PubChem (CID 47301190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).