2-quinolin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide

C18H13F3N2OS — CID 17431422

IUPAC2-quinolin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide
SMILESCC(Sc1ccc2ccccc2n1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H13F3N2OS/c1-10(18(24)23-14-8-7-12(19)16(20)17(14)21)25-15-9-6-11-4-2-3-5-13(11)22-15/h2-10H,1H3,(H,23,24)
InChIKeyLMGBUOAVOGZZHL-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.77
Rot. Bonds4

About 2-quinolin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide

2-quinolin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 17431422) has the molecular formula C18H13F3N2OS and a molecular weight of 362.38 g/mol. Its IUPAC name is 2-quinolin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name2-quinolin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID17431422
Molecular FormulaC18H13F3N2OS
Molecular Weight362.38 g/mol
Exact Mass362.07
IUPAC Name2-quinolin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide
SMILESCC(Sc1ccc2ccccc2n1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H13F3N2OS/c1-10(18(24)23-14-8-7-12(19)16(20)17(14)21)25-15-9-6-11-4-2-3-5-13(11)22-15/h2-10H,1H3,(H,23,24)
InChIKeyLMGBUOAVOGZZHL-UHFFFAOYSA-N
XLogP4.77
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 ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-naphthalen-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide
CID 7793139
(2R)-N-(2-phenylphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 7754955
(2R)-2-(2-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide
CID 7761137
[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] quinoline-2-carboxylate
CID 46790445
(2R)-2-quinolin-2-ylsulfanyl-N-(2,4,6-trichlorophenyl)propanamide
CID 7754952
(2R)-2-quinolin-2-ylsulfanylpropanoic acid
CID 950909
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide
CID 46301712
(2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272522
N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide
CID 17416780
(2R)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272462
(2S)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272463
N-propyl-2-quinolin-2-ylsulfanylpropanamide
CID 51233888

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 2-quinolin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide (CID 17431422) is 2-quinolin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 2-quinolin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 2-quinolin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide is CC(Sc1ccc2ccccc2n1)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-quinolin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is LMGBUOAVOGZZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2OS/c1-10(18(24)23-14-8-7-12(19)16(20)17(14)21)25-15-9-6-11-4-2-3-5-13(11)22-15/h2-10H,1H3,(H,23,24).
What are the key properties of 2-quinolin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide?
2-quinolin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 362.38 g/mol, XLogP of 4.77, 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-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 17431422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).