N-[2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)phenyl]acetamide

C14H11F3N2OS — CID 163885553

IUPACN-[2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)ccc1Sc1ccccn1
InChIInChI=1S/C14H11F3N2OS/c1-9(20)19-11-8-10(14(15,16)17)5-6-12(11)21-13-4-2-3-7-18-13/h2-8H,1H3,(H,19,20)
InChIKeyPWZZWCCQNAKJNQ-UHFFFAOYSA-N
MW312.32 g/mol
LogP4.21
Rot. Bonds3

About N-[2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)phenyl]acetamide

N-[2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 163885553) has the molecular formula C14H11F3N2OS and a molecular weight of 312.32 g/mol. Its IUPAC name is N-[2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID163885553
Molecular FormulaC14H11F3N2OS
Molecular Weight312.32 g/mol
Exact Mass312.05
IUPAC NameN-[2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)ccc1Sc1ccccn1
InChIInChI=1S/C14H11F3N2OS/c1-9(20)19-11-8-10(14(15,16)17)5-6-12(11)21-13-4-2-3-7-18-13/h2-8H,1H3,(H,19,20)
InChIKeyPWZZWCCQNAKJNQ-UHFFFAOYSA-N
XLogP4.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)benzoic acid
CID 62702784
2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide
CID 43153741
N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 162536125
2-[4-(trifluoromethyl)phenyl]sulfanylpyridine
CID 91806192
N-[2-chloro-3-[(2-pyridin-2-ylsulfanylacetyl)amino]-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 3877586
2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51234179
N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 16777614
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-pyridin-2-ylurea
CID 141145746
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)phenyl]urea
CID 141484585
dimethyl (2S,3S)-2,3-bis(pyridin-2-ylsulfanyl)butanedioate
CID 7140272
N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100573030

Frequently Asked Questions

What is the IUPAC name of N-[2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)phenyl]acetamide (CID 163885553) is N-[2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1cc(C(F)(F)F)ccc1Sc1ccccn1.
What is the InChIKey of N-[2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PWZZWCCQNAKJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2OS/c1-9(20)19-11-8-10(14(15,16)17)5-6-12(11)21-13-4-2-3-7-18-13/h2-8H,1H3,(H,19,20).
What are the key properties of N-[2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)phenyl]acetamide?
N-[2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 312.32 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 163885553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).