N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide

C17H17F2NO4S2 — CID 55873514

IUPACN-[2-(difluoromethylsulfonyl)phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SC(C)C(=O)Nc2ccccc2S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C17H17F2NO4S2/c1-11(25-13-9-7-12(24-2)8-10-13)16(21)20-14-5-3-4-6-15(14)26(22,23)17(18)19/h3-11,17H,1-2H3,(H,20,21)
InChIKeyVMEVOXCYQDFSLD-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.81
Rot. Bonds7

About N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide

N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 55873514) has the molecular formula C17H17F2NO4S2 and a molecular weight of 401.46 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfonyl)phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID55873514
Molecular FormulaC17H17F2NO4S2
Molecular Weight401.46 g/mol
Exact Mass401.06
IUPAC NameN-[2-(difluoromethylsulfonyl)phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SC(C)C(=O)Nc2ccccc2S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C17H17F2NO4S2/c1-11(25-13-9-7-12(24-2)8-10-13)16(21)20-14-5-3-4-6-15(14)26(22,23)17(18)19/h3-11,17H,1-2H3,(H,20,21)
InChIKeyVMEVOXCYQDFSLD-UHFFFAOYSA-N
XLogP3.81
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46772610
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide
CID 94011837
2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 55870545
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907596
(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 27971654
(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
2-(4-chlorophenyl)sulfanyl-N-(2-methylsulfonylphenyl)propanamide
CID 134037936
(2R)-N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 9063439
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 92676279
(2R)-2-(4-methoxyphenyl)sulfanyl-N-methylpropanamide
CID 30378344
N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43906041
N-[2-(difluoromethylsulfonyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 55775098

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide (CID 55873514) is N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(SC(C)C(=O)Nc2ccccc2S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is VMEVOXCYQDFSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO4S2/c1-11(25-13-9-7-12(24-2)8-10-13)16(21)20-14-5-3-4-6-15(14)26(22,23)17(18)19/h3-11,17H,1-2H3,(H,20,21).
What are the key properties of N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide?
N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 401.46 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 55873514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).