2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(pyridin-2-ylmethyl)acetamide

C16H16F3N3O3S — CID 50944930

IUPAC2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3N3O3S/c1-26(24,25)22(14-7-5-12(6-8-14)16(17,18)19)11-15(23)21-10-13-4-2-3-9-20-13/h2-9H,10-11H2,1H3,(H,21,23)
InChIKeyZGFJVDFRWUBBPF-UHFFFAOYSA-N
MW387.38 g/mol
LogP2.18
Rot. Bonds6

About 2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(pyridin-2-ylmethyl)acetamide

2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 50944930) has the molecular formula C16H16F3N3O3S and a molecular weight of 387.38 g/mol. Its IUPAC name is 2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID50944930
Molecular FormulaC16H16F3N3O3S
Molecular Weight387.38 g/mol
Exact Mass387.09
IUPAC Name2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3N3O3S/c1-26(24,25)22(14-7-5-12(6-8-14)16(17,18)19)11-15(23)21-10-13-4-2-3-9-20-13/h2-9H,10-11H2,1H3,(H,21,23)
InChIKeyZGFJVDFRWUBBPF-UHFFFAOYSA-N
XLogP2.18
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 784331
2-(4-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 23800742
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 30265485
2-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 1118194
4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(pyridin-2-ylmethyl)butanamide
CID 53286844
2-(3-acetamido-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 113155724
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 30265447
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 4589400
N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide
CID 108999285
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 1142996
2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 113153062
2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 113150116

Frequently Asked Questions

What is the IUPAC name of 2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(pyridin-2-ylmethyl)acetamide (CID 50944930) is 2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(pyridin-2-ylmethyl)acetamide is CS(=O)(=O)N(CC(=O)NCc1ccccn1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is ZGFJVDFRWUBBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3S/c1-26(24,25)22(14-7-5-12(6-8-14)16(17,18)19)11-15(23)21-10-13-4-2-3-9-20-13/h2-9H,10-11H2,1H3,(H,21,23).
What are the key properties of 2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(pyridin-2-ylmethyl)acetamide?
2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 387.38 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 50944930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).