N-(2-ethyl-6-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide

C19H20F3NO3S — CID 86925930

IUPACN-(2-ethyl-6-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
SMILESCCc1cccc(C)c1NC(=O)CS(=O)(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H20F3NO3S/c1-3-15-8-4-6-13(2)18(15)23-17(24)12-27(25,26)11-14-7-5-9-16(10-14)19(20,21)22/h4-10H,3,11-12H2,1-2H3,(H,23,24)
InChIKeyJBXCXMYBLXCUMA-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.13
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide

N-(2-ethyl-6-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide (PubChem CID 86925930) has the molecular formula C19H20F3NO3S and a molecular weight of 399.43 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
PubChem CID86925930
Molecular FormulaC19H20F3NO3S
Molecular Weight399.43 g/mol
Exact Mass399.11
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
SMILESCCc1cccc(C)c1NC(=O)CS(=O)(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H20F3NO3S/c1-3-15-8-4-6-13(2)18(15)23-17(24)12-27(25,26)11-14-7-5-9-16(10-14)19(20,21)22/h4-10H,3,11-12H2,1-2H3,(H,23,24)
InChIKeyJBXCXMYBLXCUMA-UHFFFAOYSA-N
XLogP4.13
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide
CID 86926194
N-methyl-N-[(2-methylphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
CID 86989412
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55865488
N-(2,6-dimethylphenyl)-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide
CID 95169255
2-(2,4-dimethylphenyl)sulfonyl-N-(2-ethyl-6-methylphenyl)acetamide
CID 86977651
2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 100698808
(2S)-N-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide
CID 94087753
N-(2,6-dimethylphenyl)-2-[3-(trifluoromethyl)pyridin-1-ium-1-yl]acetamide;methanol;yttrium
CID 155692700
N-(2,6-diethylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]acetamide
CID 86925946
2-benzylsulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2162964
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 112997001
N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 17396525

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide (CID 86925930) is N-(2-ethyl-6-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide is CCc1cccc(C)c1NC(=O)CS(=O)(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide?
The InChIKey is JBXCXMYBLXCUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO3S/c1-3-15-8-4-6-13(2)18(15)23-17(24)12-27(25,26)11-14-7-5-9-16(10-14)19(20,21)22/h4-10H,3,11-12H2,1-2H3,(H,23,24).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide?
N-(2-ethyl-6-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide has a molecular weight of 399.43 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide is sourced from PubChem (CID 86925930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).