N-[2-(difluoromethylsulfonyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide

C20H23F2NO4S — CID 55775098

IUPACN-[2-(difluoromethylsulfonyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ccccc2S(=O)(=O)C(F)F)ccc1C(C)C
InChIInChI=1S/C20H23F2NO4S/c1-12(2)16-10-9-15(11-13(16)3)27-14(4)19(24)23-17-7-5-6-8-18(17)28(25,26)20(21)22/h5-12,14,20H,1-4H3,(H,23,24)
InChIKeyJNJQYAGFKDAHAG-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.52
Rot. Bonds7

About N-[2-(difluoromethylsulfonyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide

N-[2-(difluoromethylsulfonyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide (PubChem CID 55775098) has the molecular formula C20H23F2NO4S and a molecular weight of 411.47 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfonyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfonyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
PubChem CID55775098
Molecular FormulaC20H23F2NO4S
Molecular Weight411.47 g/mol
Exact Mass411.13
IUPAC NameN-[2-(difluoromethylsulfonyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ccccc2S(=O)(=O)C(F)F)ccc1C(C)C
InChIInChI=1S/C20H23F2NO4S/c1-12(2)16-10-9-15(11-13(16)3)27-14(4)19(24)23-17-7-5-6-8-18(17)28(25,26)20(21)22/h5-12,14,20H,1-4H3,(H,23,24)
InChIKeyJNJQYAGFKDAHAG-UHFFFAOYSA-N
XLogP4.52
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]phenyl]acetic acid
CID 119218546
2-(3,4-dimethylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 53266174
N-[2-(difluoromethylsulfonyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 8916886
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methylphenyl)propanamide
CID 95077645
N-(2-aminoethyl)-2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 120603874
2-(3-methyl-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 24500733
N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 55873514
(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 841227
N-(2-benzoyl-4-chlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 53266932
2-(4-tert-butylphenoxy)-N-[2-(dimethylsulfamoyl)phenyl]propanamide
CID 55984335
2-(3,4-dimethylphenoxy)-N-(2-methoxyphenyl)propanamide
CID 17340995
2-(3,4-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 53286343

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide (CID 55775098) is N-[2-(difluoromethylsulfonyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[2-(difluoromethylsulfonyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[2-(difluoromethylsulfonyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide is Cc1cc(OC(C)C(=O)Nc2ccccc2S(=O)(=O)C(F)F)ccc1C(C)C.
What is the InChIKey of N-[2-(difluoromethylsulfonyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
The InChIKey is JNJQYAGFKDAHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO4S/c1-12(2)16-10-9-15(11-13(16)3)27-14(4)19(24)23-17-7-5-6-8-18(17)28(25,26)20(21)22/h5-12,14,20H,1-4H3,(H,23,24).
What are the key properties of N-[2-(difluoromethylsulfonyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
N-[2-(difluoromethylsulfonyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide has a molecular weight of 411.47 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfonyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 55775098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).