N-(4-ethylphenyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide

C18H18F3NO3S — CID 86925892

IUPACN-(4-ethylphenyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
SMILESCCc1ccc(NC(=O)CS(=O)(=O)Cc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO3S/c1-2-13-7-9-15(10-8-13)22-17(23)12-26(24,25)11-14-5-3-4-6-16(14)18(19,20)21/h3-10H,2,11-12H2,1H3,(H,22,23)
InChIKeyDIYXRFKVQMEBEJ-UHFFFAOYSA-N
MW385.41 g/mol
LogP3.82
Rot. Bonds6

About N-(4-ethylphenyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide

N-(4-ethylphenyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide (PubChem CID 86925892) has the molecular formula C18H18F3NO3S and a molecular weight of 385.41 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
PubChem CID86925892
Molecular FormulaC18H18F3NO3S
Molecular Weight385.41 g/mol
Exact Mass385.10
IUPAC NameN-(4-ethylphenyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
SMILESCCc1ccc(NC(=O)CS(=O)(=O)Cc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO3S/c1-2-13-7-9-15(10-8-13)22-17(23)12-26(24,25)11-14-5-3-4-6-16(14)18(19,20)21/h3-10H,2,11-12H2,1H3,(H,22,23)
InChIKeyDIYXRFKVQMEBEJ-UHFFFAOYSA-N
XLogP3.82
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide
CID 7731180
4-[[2-(4-ethylanilino)-2-oxoethyl]sulfonylmethyl]benzoate
CID 7731188
N-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide
CID 23409064
2-(2-aminoethylsulfonyl)-N-(4-ethylphenyl)acetamide
CID 82179944
(2R)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 7729755
N-(4-ethylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide
CID 82181831
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
2-[(4-bromophenyl)methylsulfonyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 112826325
N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfonyl]acetamide
CID 7731124
2-(cyanomethylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 96694920
2-[(2-cyanophenyl)methylsulfonyl]-N-(4-methylphenyl)acetamide
CID 39159153
methyl 3-[[2-(trifluoromethyl)phenyl]methylsulfonylmethyl]pyridine-2-carboxylate
CID 67983885

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide (CID 86925892) is N-(4-ethylphenyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide is CCc1ccc(NC(=O)CS(=O)(=O)Cc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide?
The InChIKey is DIYXRFKVQMEBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3S/c1-2-13-7-9-15(10-8-13)22-17(23)12-26(24,25)11-14-5-3-4-6-16(14)18(19,20)21/h3-10H,2,11-12H2,1H3,(H,22,23).
What are the key properties of N-(4-ethylphenyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide?
N-(4-ethylphenyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide has a molecular weight of 385.41 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide is sourced from PubChem (CID 86925892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).