2-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

C18H19F3N4O2S — CID 31904271

IUPAC2-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(SCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)nc(C)n1
InChIInChI=1S/C18H19F3N4O2S/c1-11-8-16(23-12(2)22-11)28-10-17(27)25(3)9-15(26)24-14-7-5-4-6-13(14)18(19,20)21/h4-8H,9-10H2,1-3H3,(H,24,26)
InChIKeyZIZYQBKVGBYYLQ-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.30
Rot. Bonds6

About 2-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 31904271) has the molecular formula C18H19F3N4O2S and a molecular weight of 412.44 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID31904271
Molecular FormulaC18H19F3N4O2S
Molecular Weight412.44 g/mol
Exact Mass412.12
IUPAC Name2-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(SCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)nc(C)n1
InChIInChI=1S/C18H19F3N4O2S/c1-11-8-16(23-12(2)22-11)28-10-17(27)25(3)9-15(26)24-14-7-5-4-6-13(14)18(19,20)21/h4-8H,9-10H2,1-3H3,(H,24,26)
InChIKeyZIZYQBKVGBYYLQ-UHFFFAOYSA-N
XLogP3.30
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2612713
2-[[2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 55753334
2-[(2-benzylsulfanylacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24981104
2-[(2-chloroacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2095781
2-[methyl-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 25163639
2-[[2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30520316
N,6-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-2-carboxamide
CID 32645362
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,3-diphenylpropanamide
CID 26897747
(2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 42353218
2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24545771
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8503379
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 31904271) is 2-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is Cc1cc(SCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)nc(C)n1.
What is the InChIKey of 2-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZIZYQBKVGBYYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2S/c1-11-8-16(23-12(2)22-11)28-10-17(27)25(3)9-15(26)24-14-7-5-4-6-13(14)18(19,20)21/h4-8H,9-10H2,1-3H3,(H,24,26).
What are the key properties of 2-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 412.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 31904271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).