N-(4-ethylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

C16H15F3N2OS — CID 31888958

IUPACN-(4-ethylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESCCc1ccc(NC(=O)CSc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C16H15F3N2OS/c1-2-11-3-6-13(7-4-11)21-14(22)10-23-15-8-5-12(9-20-15)16(17,18)19/h3-9H,2,10H2,1H3,(H,21,22)
InChIKeyUCDCRGOETJFACL-UHFFFAOYSA-N
MW340.37 g/mol
LogP4.39
Rot. Bonds5

About N-(4-ethylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

N-(4-ethylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 31888958) has the molecular formula C16H15F3N2OS and a molecular weight of 340.37 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID31888958
Molecular FormulaC16H15F3N2OS
Molecular Weight340.37 g/mol
Exact Mass340.09
IUPAC NameN-(4-ethylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESCCc1ccc(NC(=O)CSc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C16H15F3N2OS/c1-2-11-3-6-13(7-4-11)21-14(22)10-23-15-8-5-12(9-20-15)16(17,18)19/h3-9H,2,10H2,1H3,(H,21,22)
InChIKeyUCDCRGOETJFACL-UHFFFAOYSA-N
XLogP4.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[4-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]phenyl]acetamide
CID 134004407
N-(4-fluorophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 2824729
N-(2-methylbutan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 47111305
[2-(4-methylanilino)-2-oxoethyl] 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetate
CID 102603701
(4-acetamidophenyl) 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetate
CID 51182392
N-(6-morpholin-4-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55498018
N-[3,5-bis(trifluoromethyl)phenyl]-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936710
2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3309206
N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55526751
N-(4-ethylphenyl)-2-[[4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 71006126
2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 27585979
N-(2-phenylethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 17440632

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (CID 31888958) is N-(4-ethylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is CCc1ccc(NC(=O)CSc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is UCDCRGOETJFACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2OS/c1-2-11-3-6-13(7-4-11)21-14(22)10-23-15-8-5-12(9-20-15)16(17,18)19/h3-9H,2,10H2,1H3,(H,21,22).
What are the key properties of N-(4-ethylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
N-(4-ethylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 340.37 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 31888958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).