(2R)-2-quinolin-2-ylsulfanyl-N-(2,4,6-trichlorophenyl)propanamide

C18H13Cl3N2OS — CID 7754952

IUPAC(2R)-2-quinolin-2-ylsulfanyl-N-(2,4,6-trichlorophenyl)propanamide
SMILESC[C@@H](Sc1ccc2ccccc2n1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C18H13Cl3N2OS/c1-10(18(24)23-17-13(20)8-12(19)9-14(17)21)25-16-7-6-11-4-2-3-5-15(11)22-16/h2-10H,1H3,(H,23,24)/t10-/m1/s1
InChIKeyKAWFDNNPXFMZMQ-SNVBAGLBSA-N
MW411.74 g/mol
LogP6.31
Rot. Bonds4

About (2R)-2-quinolin-2-ylsulfanyl-N-(2,4,6-trichlorophenyl)propanamide

(2R)-2-quinolin-2-ylsulfanyl-N-(2,4,6-trichlorophenyl)propanamide (PubChem CID 7754952) has the molecular formula C18H13Cl3N2OS and a molecular weight of 411.74 g/mol. Its IUPAC name is (2R)-2-quinolin-2-ylsulfanyl-N-(2,4,6-trichlorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-quinolin-2-ylsulfanyl-N-(2,4,6-trichlorophenyl)propanamide
PubChem CID7754952
Molecular FormulaC18H13Cl3N2OS
Molecular Weight411.74 g/mol
Exact Mass409.98
IUPAC Name(2R)-2-quinolin-2-ylsulfanyl-N-(2,4,6-trichlorophenyl)propanamide
SMILESC[C@@H](Sc1ccc2ccccc2n1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C18H13Cl3N2OS/c1-10(18(24)23-17-13(20)8-12(19)9-14(17)21)25-16-7-6-11-4-2-3-5-15(11)22-16/h2-10H,1H3,(H,23,24)/t10-/m1/s1
InChIKeyKAWFDNNPXFMZMQ-SNVBAGLBSA-N
XLogP6.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.74
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272462
(2S)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272463
2-quinolin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide
CID 17431422
(2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272522
N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide
CID 17416780
(2R)-N-(2-phenylphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 7754955
N-propyl-2-quinolin-2-ylsulfanylpropanamide
CID 51233888
(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
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-quinolin-2-ylsulfanylpropanamide
CID 7755383
(2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272482
(2S)-N-[(2R)-2-phenylpropyl]-2-quinolin-2-ylsulfanylpropanamide
CID 7754781

Frequently Asked Questions

What is the IUPAC name of (2R)-2-quinolin-2-ylsulfanyl-N-(2,4,6-trichlorophenyl)propanamide?
The IUPAC name of (2R)-2-quinolin-2-ylsulfanyl-N-(2,4,6-trichlorophenyl)propanamide (CID 7754952) is (2R)-2-quinolin-2-ylsulfanyl-N-(2,4,6-trichlorophenyl)propanamide.
What is the SMILES notation for (2R)-2-quinolin-2-ylsulfanyl-N-(2,4,6-trichlorophenyl)propanamide?
The canonical SMILES for (2R)-2-quinolin-2-ylsulfanyl-N-(2,4,6-trichlorophenyl)propanamide is C[C@@H](Sc1ccc2ccccc2n1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of (2R)-2-quinolin-2-ylsulfanyl-N-(2,4,6-trichlorophenyl)propanamide?
The InChIKey is KAWFDNNPXFMZMQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H13Cl3N2OS/c1-10(18(24)23-17-13(20)8-12(19)9-14(17)21)25-16-7-6-11-4-2-3-5-15(11)22-16/h2-10H,1H3,(H,23,24)/t10-/m1/s1.
What are the key properties of (2R)-2-quinolin-2-ylsulfanyl-N-(2,4,6-trichlorophenyl)propanamide?
(2R)-2-quinolin-2-ylsulfanyl-N-(2,4,6-trichlorophenyl)propanamide has a molecular weight of 411.74 g/mol, XLogP of 6.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-quinolin-2-ylsulfanyl-N-(2,4,6-trichlorophenyl)propanamide is sourced from PubChem (CID 7754952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).