N-(2,6-dimethylphenyl)-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide

C18H18F3NO2S — CID 95169255

IUPACN-(2,6-dimethylphenyl)-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide
SMILESCc1cccc(C)c1NC(=O)C[S@](=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3NO2S/c1-12-5-3-6-13(2)17(12)22-16(23)11-25(24)10-14-7-4-8-15(9-14)18(19,20)21/h3-9H,10-11H2,1-2H3,(H,22,23)/t25-/m1/s1
InChIKeyPSOPVHBGUVQISB-RUZDIDTESA-N
MW369.41 g/mol
LogP4.21
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide

N-(2,6-dimethylphenyl)-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide (PubChem CID 95169255) has the molecular formula C18H18F3NO2S and a molecular weight of 369.41 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide
PubChem CID95169255
Molecular FormulaC18H18F3NO2S
Molecular Weight369.41 g/mol
Exact Mass369.10
IUPAC NameN-(2,6-dimethylphenyl)-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide
SMILESCc1cccc(C)c1NC(=O)C[S@](=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3NO2S/c1-12-5-3-6-13(2)17(12)22-16(23)11-25(24)10-14-7-4-8-15(9-14)18(19,20)21/h3-9H,10-11H2,1-2H3,(H,22,23)/t25-/m1/s1
InChIKeyPSOPVHBGUVQISB-RUZDIDTESA-N
XLogP4.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide
CID 95169267
1-[(4-tert-butylphenyl)methylsulfinylmethyl]-3-(trifluoromethyl)benzene
CID 51113119
1-[(3-fluorophenyl)methylsulfinylmethyl]-3-(trifluoromethyl)benzene
CID 47022782
N-(2-ethyl-6-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
CID 86925930
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 27890651
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55865488
1-[[(S)-(3-methoxyphenyl)methylsulfinyl]methyl]-3-(trifluoromethyl)benzene
CID 94812111
2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]ethanamine
CID 58684611
3,3-dimethyl-N-[2-methyl-6-[[[3-(trifluoromethyl)phenyl]methylamino]carbamoyl]phenyl]butanamide
CID 71513515
N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 17396525
3-[[2-(4-methylanilino)-2-oxoethyl]sulfinylmethyl]benzoic acid
CID 123098878
4-[[3-(trifluoromethyl)phenyl]methylsulfinyl]butan-2-amine
CID 81195470

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide (CID 95169255) is N-(2,6-dimethylphenyl)-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide is Cc1cccc(C)c1NC(=O)C[S@](=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide?
The InChIKey is PSOPVHBGUVQISB-RUZDIDTESA-N. The full InChI is InChI=1S/C18H18F3NO2S/c1-12-5-3-6-13(2)17(12)22-16(23)11-25(24)10-14-7-4-8-15(9-14)18(19,20)21/h3-9H,10-11H2,1-2H3,(H,22,23)/t25-/m1/s1.
What are the key properties of N-(2,6-dimethylphenyl)-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide?
N-(2,6-dimethylphenyl)-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide has a molecular weight of 369.41 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide is sourced from PubChem (CID 95169255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).