2-ethylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)-5-(trifluoromethyl)-3-pyridinyl]benzamide

C17H15F6N3OS — CID 162564794

IUPAC2-ethylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)-5-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESCCSc1ccccc1C(=O)Nc1cc(C(F)(F)F)cnc1NCC(F)(F)F
InChIInChI=1S/C17H15F6N3OS/c1-2-28-13-6-4-3-5-11(13)15(27)26-12-7-10(17(21,22)23)8-24-14(12)25-9-16(18,19)20/h3-8H,2,9H2,1H3,(H,24,25)(H,26,27)
InChIKeyXKFGQHLFJIVBMJ-UHFFFAOYSA-N
MW423.38 g/mol
LogP5.44
Rot. Bonds6

About 2-ethylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)-5-(trifluoromethyl)-3-pyridinyl]benzamide

2-ethylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)-5-(trifluoromethyl)-3-pyridinyl]benzamide (PubChem CID 162564794) has the molecular formula C17H15F6N3OS and a molecular weight of 423.38 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)-5-(trifluoromethyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)-5-(trifluoromethyl)-3-pyridinyl]benzamide
PubChem CID162564794
Molecular FormulaC17H15F6N3OS
Molecular Weight423.38 g/mol
Exact Mass423.08
IUPAC Name2-ethylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)-5-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESCCSc1ccccc1C(=O)Nc1cc(C(F)(F)F)cnc1NCC(F)(F)F
InChIInChI=1S/C17H15F6N3OS/c1-2-28-13-6-4-3-5-11(13)15(27)26-12-7-10(17(21,22)23)8-24-14(12)25-9-16(18,19)20/h3-8H,2,9H2,1H3,(H,24,25)(H,26,27)
InChIKeyXKFGQHLFJIVBMJ-UHFFFAOYSA-N
XLogP5.44
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.38
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanylnaphthalene-2-carboxamide
CID 163948303
3-ethylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 150785673
2-ethylsulfanyl-N-(5-hydroxy-2-methyl-4-pyridinyl)benzamide
CID 126683060
2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 99841149
3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 118148696
2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid
CID 17204466
2-[(2-ethylsulfanylbenzoyl)amino]benzamide
CID 4631713
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylsulfanylbenzamide
CID 1232472
2-ethylsulfanyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972468
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
5-(4-cyclopropylphenyl)-3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 167506885
2-ethylsulfanyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)benzamide
CID 118535345

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)-5-(trifluoromethyl)-3-pyridinyl]benzamide?
The IUPAC name of 2-ethylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)-5-(trifluoromethyl)-3-pyridinyl]benzamide (CID 162564794) is 2-ethylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)-5-(trifluoromethyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)-5-(trifluoromethyl)-3-pyridinyl]benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)-5-(trifluoromethyl)-3-pyridinyl]benzamide is CCSc1ccccc1C(=O)Nc1cc(C(F)(F)F)cnc1NCC(F)(F)F.
What is the InChIKey of 2-ethylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)-5-(trifluoromethyl)-3-pyridinyl]benzamide?
The InChIKey is XKFGQHLFJIVBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F6N3OS/c1-2-28-13-6-4-3-5-11(13)15(27)26-12-7-10(17(21,22)23)8-24-14(12)25-9-16(18,19)20/h3-8H,2,9H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 2-ethylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)-5-(trifluoromethyl)-3-pyridinyl]benzamide?
2-ethylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)-5-(trifluoromethyl)-3-pyridinyl]benzamide has a molecular weight of 423.38 g/mol, XLogP of 5.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)-5-(trifluoromethyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 162564794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).