N-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide

C15H10F6N2OS — CID 2824711

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H10F6N2OS/c16-14(17,18)9-5-10(15(19,20)21)7-11(6-9)23-12(24)8-25-13-3-1-2-4-22-13/h1-7H,8H2,(H,23,24)
InChIKeyIXDOZHDNVJIYMP-UHFFFAOYSA-N
MW380.31 g/mol
LogP4.85
Rot. Bonds4

About N-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 2824711) has the molecular formula C15H10F6N2OS and a molecular weight of 380.31 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide
PubChem CID2824711
Molecular FormulaC15H10F6N2OS
Molecular Weight380.31 g/mol
Exact Mass380.04
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H10F6N2OS/c16-14(17,18)9-5-10(15(19,20)21)7-11(6-9)23-12(24)8-25-13-3-1-2-4-22-13/h1-7H,8H2,(H,23,24)
InChIKeyIXDOZHDNVJIYMP-UHFFFAOYSA-N
XLogP4.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide (CID 2824711) is N-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is IXDOZHDNVJIYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6N2OS/c16-14(17,18)9-5-10(15(19,20)21)7-11(6-9)23-12(24)8-25-13-3-1-2-4-22-13/h1-7H,8H2,(H,23,24).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 380.31 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 2824711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).