(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide

C21H19F3N2OS — CID 8952780

IUPAC(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCc1cc(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nc2c(C)cccc12
InChIInChI=1S/C21H19F3N2OS/c1-12-7-6-8-15-13(2)11-18(26-19(12)15)28-14(3)20(27)25-17-10-5-4-9-16(17)21(22,23)24/h4-11,14H,1-3H3,(H,25,27)/t14-/m1/s1
InChIKeyHRBQEJFGSVOYFH-CQSZACIVSA-N
MW404.46 g/mol
LogP5.99
Rot. Bonds4

About (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide

(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 8952780) has the molecular formula C21H19F3N2OS and a molecular weight of 404.46 g/mol. Its IUPAC name is (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID8952780
Molecular FormulaC21H19F3N2OS
Molecular Weight404.46 g/mol
Exact Mass404.12
IUPAC Name(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCc1cc(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nc2c(C)cccc12
InChIInChI=1S/C21H19F3N2OS/c1-12-7-6-8-15-13(2)11-18(26-19(12)15)28-14(3)20(27)25-17-10-5-4-9-16(17)21(22,23)24/h4-11,14H,1-3H3,(H,25,27)/t14-/m1/s1
InChIKeyHRBQEJFGSVOYFH-CQSZACIVSA-N
XLogP5.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.46
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 7743647
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylpropanamide
CID 9456586
(2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363693
(2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 42353218
(2R)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363698
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363756
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 42345164
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 7743634
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 46302049
2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 4821234
2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 21000107
N-(3,4-dimethoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 46301952

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide (CID 8952780) is (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide is Cc1cc(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nc2c(C)cccc12.
What is the InChIKey of (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is HRBQEJFGSVOYFH-CQSZACIVSA-N. The full InChI is InChI=1S/C21H19F3N2OS/c1-12-7-6-8-15-13(2)11-18(26-19(12)15)28-14(3)20(27)25-17-10-5-4-9-16(17)21(22,23)24/h4-11,14H,1-3H3,(H,25,27)/t14-/m1/s1.
What are the key properties of (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 404.46 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 8952780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).