N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenyl-2-pyridin-2-ylsulfanylacetamide

C20H14ClF3N2OS — CID 2726087

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenyl-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)C(Sc1ccccn1)c1ccccc1
InChIInChI=1S/C20H14ClF3N2OS/c21-15-10-9-14(20(22,23)24)12-16(15)26-19(27)18(13-6-2-1-3-7-13)28-17-8-4-5-11-25-17/h1-12,18H,(H,26,27)
InChIKeyCLQIMBYFGRAYBR-UHFFFAOYSA-N
MW422.86 g/mol
LogP6.23
Rot. Bonds5

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenyl-2-pyridin-2-ylsulfanylacetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenyl-2-pyridin-2-ylsulfanylacetamide (PubChem CID 2726087) has the molecular formula C20H14ClF3N2OS and a molecular weight of 422.86 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenyl-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenyl-2-pyridin-2-ylsulfanylacetamide
PubChem CID2726087
Molecular FormulaC20H14ClF3N2OS
Molecular Weight422.86 g/mol
Exact Mass422.05
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenyl-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)C(Sc1ccccn1)c1ccccc1
InChIInChI=1S/C20H14ClF3N2OS/c21-15-10-9-14(20(22,23)24)12-16(15)26-19(27)18(13-6-2-1-3-7-13)28-17-8-4-5-11-25-17/h1-12,18H,(H,26,27)
InChIKeyCLQIMBYFGRAYBR-UHFFFAOYSA-N
XLogP6.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.86
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenyl-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenyl-2-pyridin-2-ylsulfanylacetamide (CID 2726087) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenyl-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenyl-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenyl-2-pyridin-2-ylsulfanylacetamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(Sc1ccccn1)c1ccccc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenyl-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is CLQIMBYFGRAYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N2OS/c21-15-10-9-14(20(22,23)24)12-16(15)26-19(27)18(13-6-2-1-3-7-13)28-17-8-4-5-11-25-17/h1-12,18H,(H,26,27).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenyl-2-pyridin-2-ylsulfanylacetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenyl-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 422.86 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenyl-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 2726087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).