2-quinolin-2-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide

C18H13F3N2OS — CID 1278675

IUPAC2-quinolin-2-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1ccc2ccccc2n1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H13F3N2OS/c19-18(20,21)13-5-3-6-14(10-13)22-16(24)11-25-17-9-8-12-4-1-2-7-15(12)23-17/h1-10H,11H2,(H,22,24)
InChIKeyHHBMPYAIBXOSMY-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.98
Rot. Bonds4

About 2-quinolin-2-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide

2-quinolin-2-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 1278675) has the molecular formula C18H13F3N2OS and a molecular weight of 362.38 g/mol. Its IUPAC name is 2-quinolin-2-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-quinolin-2-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID1278675
Molecular FormulaC18H13F3N2OS
Molecular Weight362.38 g/mol
Exact Mass362.07
IUPAC Name2-quinolin-2-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1ccc2ccccc2n1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H13F3N2OS/c19-18(20,21)13-5-3-6-14(10-13)22-16(24)11-25-17-9-8-12-4-1-2-7-15(12)23-17/h1-10H,11H2,(H,22,24)
InChIKeyHHBMPYAIBXOSMY-UHFFFAOYSA-N
XLogP4.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755220
N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755203
N-(4-chlorophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 890803
2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 19712457
2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 983882
2-quinolin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 35990470
N-(3,4-diethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755135
2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 46383830
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21232399
2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1251080
2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 744841
2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2982579

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-2-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-quinolin-2-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide (CID 1278675) is 2-quinolin-2-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-quinolin-2-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-quinolin-2-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CSc1ccc2ccccc2n1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-quinolin-2-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HHBMPYAIBXOSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2OS/c19-18(20,21)13-5-3-6-14(10-13)22-16(24)11-25-17-9-8-12-4-1-2-7-15(12)23-17/h1-10H,11H2,(H,22,24).
What are the key properties of 2-quinolin-2-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
2-quinolin-2-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 362.38 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-2-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1278675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).