2-ethylsulfanyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)benzamide

C16H15F3N2OS — CID 118535345

IUPAC2-ethylsulfanyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)benzamide
SMILESCCSc1cc(C(F)(F)F)ccc1C(=O)Nc1ccc(C)cn1
InChIInChI=1S/C16H15F3N2OS/c1-3-23-13-8-11(16(17,18)19)5-6-12(13)15(22)21-14-7-4-10(2)9-20-14/h4-9H,3H2,1-2H3,(H,20,21,22)
InChIKeyRUMZBTZXRXRKFU-UHFFFAOYSA-N
MW340.37 g/mol
LogP4.77
Rot. Bonds4

About 2-ethylsulfanyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)benzamide

2-ethylsulfanyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)benzamide (PubChem CID 118535345) has the molecular formula C16H15F3N2OS and a molecular weight of 340.37 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)benzamide
PubChem CID118535345
Molecular FormulaC16H15F3N2OS
Molecular Weight340.37 g/mol
Exact Mass340.09
IUPAC Name2-ethylsulfanyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)benzamide
SMILESCCSc1cc(C(F)(F)F)ccc1C(=O)Nc1ccc(C)cn1
InChIInChI=1S/C16H15F3N2OS/c1-3-23-13-8-11(16(17,18)19)5-6-12(13)15(22)21-14-7-4-10(2)9-20-14/h4-9H,3H2,1-2H3,(H,20,21,22)
InChIKeyRUMZBTZXRXRKFU-UHFFFAOYSA-N
XLogP4.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-ethylsulfanyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)benzamide (CID 118535345) is 2-ethylsulfanyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)benzamide is CCSc1cc(C(F)(F)F)ccc1C(=O)Nc1ccc(C)cn1.
What is the InChIKey of 2-ethylsulfanyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)benzamide?
The InChIKey is RUMZBTZXRXRKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2OS/c1-3-23-13-8-11(16(17,18)19)5-6-12(13)15(22)21-14-7-4-10(2)9-20-14/h4-9H,3H2,1-2H3,(H,20,21,22).
What are the key properties of 2-ethylsulfanyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)benzamide?
2-ethylsulfanyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)benzamide has a molecular weight of 340.37 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118535345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).