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

C14H11F3N2OS — CID 2744376

IUPACN-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESO=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccccc1
InChIInChI=1S/C14H11F3N2OS/c15-14(16,17)10-6-7-13(18-8-10)21-9-12(20)19-11-4-2-1-3-5-11/h1-8H,9H2,(H,19,20)
InChIKeyLAVGRHLTJRVVAZ-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.83
Rot. Bonds4

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

N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 2744376) has the molecular formula C14H11F3N2OS and a molecular weight of 312.32 g/mol. Its IUPAC name is N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID2744376
Molecular FormulaC14H11F3N2OS
Molecular Weight312.32 g/mol
Exact Mass312.05
IUPAC NameN-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESO=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccccc1
InChIInChI=1S/C14H11F3N2OS/c15-14(16,17)10-6-7-13(18-8-10)21-9-12(20)19-11-4-2-1-3-5-11/h1-8H,9H2,(H,19,20)
InChIKeyLAVGRHLTJRVVAZ-UHFFFAOYSA-N
XLogP3.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (CID 2744376) is N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is LAVGRHLTJRVVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2OS/c15-14(16,17)10-6-7-13(18-8-10)21-9-12(20)19-11-4-2-1-3-5-11/h1-8H,9H2,(H,19,20).
What are the key properties of N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 312.32 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 2744376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).