2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide

C18H18F3NO4S — CID 3512423

IUPAC2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccc(S(=O)(=O)CC(C)(O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H18F3NO4S/c1-12-6-8-15(9-7-12)27(25,26)11-17(2,24)16(23)22-14-5-3-4-13(10-14)18(19,20)21/h3-10,24H,11H2,1-2H3,(H,22,23)
InChIKeyOOORFTSUBJMPJT-UHFFFAOYSA-N
MW401.41 g/mol
LogP3.18
Rot. Bonds5

About 2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide

2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 3512423) has the molecular formula C18H18F3NO4S and a molecular weight of 401.41 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID3512423
Molecular FormulaC18H18F3NO4S
Molecular Weight401.41 g/mol
Exact Mass401.09
IUPAC Name2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccc(S(=O)(=O)CC(C)(O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H18F3NO4S/c1-12-6-8-15(9-7-12)27(25,26)11-17(2,24)16(23)22-14-5-3-4-13(10-14)18(19,20)21/h3-10,24H,11H2,1-2H3,(H,22,23)
InChIKeyOOORFTSUBJMPJT-UHFFFAOYSA-N
XLogP3.18
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3686927
3-benzylsulfonyl-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3598782
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 58233827
(2R)-2-[(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 1378166
2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 71371552
(2S)-3-[(2-chlorophenyl)methylsulfonyl]-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 1476432
3-[(2-chlorophenyl)methylsulfonyl]-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3780284
4,4,4-trifluoro-2-methyl-2-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 102499454
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 10542294
[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596522
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 118614924
2-methyl-N-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenylpropanamide
CID 155510283

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide (CID 3512423) is 2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide is Cc1ccc(S(=O)(=O)CC(C)(O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is OOORFTSUBJMPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO4S/c1-12-6-8-15(9-7-12)27(25,26)11-17(2,24)16(23)22-14-5-3-4-13(10-14)18(19,20)21/h3-10,24H,11H2,1-2H3,(H,22,23).
What are the key properties of 2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide?
2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 401.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 3512423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).