(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide

C22H23FN2OS — CID 7363821

IUPAC(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
SMILESCc1cc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nc2c(C)cccc12
InChIInChI=1S/C22H23FN2OS/c1-13-6-5-7-19-14(2)12-20(25-21(13)19)27-16(4)22(26)24-15(3)17-8-10-18(23)11-9-17/h5-12,15-16H,1-4H3,(H,24,26)/t15-,16-/m0/s1
InChIKeyQTECEXISOAXVAC-HOTGVXAUSA-N
MW382.50 g/mol
LogP5.35
Rot. Bonds5

About (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide

(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide (PubChem CID 7363821) has the molecular formula C22H23FN2OS and a molecular weight of 382.50 g/mol. Its IUPAC name is (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
PubChem CID7363821
Molecular FormulaC22H23FN2OS
Molecular Weight382.50 g/mol
Exact Mass382.15
IUPAC Name(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
SMILESCc1cc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nc2c(C)cccc12
InChIInChI=1S/C22H23FN2OS/c1-13-6-5-7-19-14(2)12-20(25-21(13)19)27-16(4)22(26)24-15(3)17-8-10-18(23)11-9-17/h5-12,15-16H,1-4H3,(H,24,26)/t15-,16-/m0/s1
InChIKeyQTECEXISOAXVAC-HOTGVXAUSA-N
XLogP5.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide with MolForge

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Related Compounds

(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
2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 4821234
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 42345164
(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7145349
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 8952780
(2R)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363698
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 46302049
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide
CID 7363691
5-[2-(4,8-dimethylquinolin-2-yl)sulfanylpropanoyl]-1,3-dihydrobenzimidazol-2-one
CID 46301925
N-(3,4-dimethoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 46301952
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-naphthalen-2-ylsulfanylpropanamide
CID 7402963

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide (CID 7363821) is (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide is Cc1cc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nc2c(C)cccc12.
What is the InChIKey of (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is QTECEXISOAXVAC-HOTGVXAUSA-N. The full InChI is InChI=1S/C22H23FN2OS/c1-13-6-5-7-19-14(2)12-20(25-21(13)19)27-16(4)22(26)24-15(3)17-8-10-18(23)11-9-17/h5-12,15-16H,1-4H3,(H,24,26)/t15-,16-/m0/s1.
What are the key properties of (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide?
(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 382.50 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 7363821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).