N-[2-methoxy-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide

C12H14F3NO2S — CID 175407418

IUPACN-[2-methoxy-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide
SMILESCOc1cc(C)c(SC(F)C(F)F)cc1NC(C)=O
InChIInChI=1S/C12H14F3NO2S/c1-6-4-9(18-3)8(16-7(2)17)5-10(6)19-12(15)11(13)14/h4-5,11-12H,1-3H3,(H,16,17)
InChIKeyHMTOYVQUWHUSTK-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.61
Rot. Bonds5

About N-[2-methoxy-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide

N-[2-methoxy-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide (PubChem CID 175407418) has the molecular formula C12H14F3NO2S and a molecular weight of 293.31 g/mol. Its IUPAC name is N-[2-methoxy-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide
PubChem CID175407418
Molecular FormulaC12H14F3NO2S
Molecular Weight293.31 g/mol
Exact Mass293.07
IUPAC NameN-[2-methoxy-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide
SMILESCOc1cc(C)c(SC(F)C(F)F)cc1NC(C)=O
InChIInChI=1S/C12H14F3NO2S/c1-6-4-9(18-3)8(16-7(2)17)5-10(6)19-12(15)11(13)14/h4-5,11-12H,1-3H3,(H,16,17)
InChIKeyHMTOYVQUWHUSTK-UHFFFAOYSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-fluoro-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 175504026
N-[5-[[5-(ethylamino)-4-methoxy-2-methylphenyl]disulfanyl]-2-methoxy-4-methylphenyl]acetamide
CID 123526648
N-(2,4,5-trimethoxyphenyl)acetamide
CID 54074808
N-(2-methoxy-4,5-dimethylphenyl)propanamide
CID 110776816
N-(5-bromo-4-methoxy-2-methylphenyl)acetamide
CID 66766852
N-(5-acetyl-4-hydroxy-2-methoxyphenyl)acetamide
CID 121366040
N-[4-(dimethylsulfamoyl)-2-methoxy-5-methylphenyl]acetamide
CID 162727666
4-acetamido-2,5-dimethoxybenzenesulfinic acid
CID 102438502
5-acetamido-2-chloro-4-methoxybenzoic acid
CID 112757038
N-(5-methoxy-2-methyl-4-pyridinyl)acetamide
CID 59938106
N-(3,4-difluoro-5-methoxy-2-methylphenyl)acetamide;ethane
CID 178095697
N-(2-methoxy-4,5-dimethylphenyl)cyclopropanecarboxamide
CID 110776819

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
The IUPAC name of N-[2-methoxy-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide (CID 175407418) is N-[2-methoxy-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide is COc1cc(C)c(SC(F)C(F)F)cc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
The InChIKey is HMTOYVQUWHUSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2S/c1-6-4-9(18-3)8(16-7(2)17)5-10(6)19-12(15)11(13)14/h4-5,11-12H,1-3H3,(H,16,17).
What are the key properties of N-[2-methoxy-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
N-[2-methoxy-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide has a molecular weight of 293.31 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 175407418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).