(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylpropanamide

C17H22N2OS — CID 9456586

IUPAC(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylpropanamide
SMILESCc1cc(S[C@H](C)C(=O)NC(C)C)nc2c(C)cccc12
InChIInChI=1S/C17H22N2OS/c1-10(2)18-17(20)13(5)21-15-9-12(4)14-8-6-7-11(3)16(14)19-15/h6-10,13H,1-5H3,(H,18,20)/t13-/m1/s1
InChIKeyUEETXNZRVNPFBO-CYBMUJFWSA-N
MW302.44 g/mol
LogP3.86
Rot. Bonds4

About (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylpropanamide

(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylpropanamide (PubChem CID 9456586) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylpropanamide
PubChem CID9456586
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylpropanamide
SMILESCc1cc(S[C@H](C)C(=O)NC(C)C)nc2c(C)cccc12
InChIInChI=1S/C17H22N2OS/c1-10(2)18-17(20)13(5)21-15-9-12(4)14-8-6-7-11(3)16(14)19-15/h6-10,13H,1-5H3,(H,18,20)/t13-/m1/s1
InChIKeyUEETXNZRVNPFBO-CYBMUJFWSA-N
XLogP3.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclopentyl-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7743628
(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 7363821
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 7743634
(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)-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-(3,4-dimethoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 46301952
(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 7743647
N-(4-cyano-1-methylpyrazol-5-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 46301929

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylpropanamide?
The IUPAC name of (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylpropanamide (CID 9456586) is (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylpropanamide.
What is the SMILES notation for (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylpropanamide?
The canonical SMILES for (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylpropanamide is Cc1cc(S[C@H](C)C(=O)NC(C)C)nc2c(C)cccc12.
What is the InChIKey of (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylpropanamide?
The InChIKey is UEETXNZRVNPFBO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-10(2)18-17(20)13(5)21-15-9-12(4)14-8-6-7-11(3)16(14)19-15/h6-10,13H,1-5H3,(H,18,20)/t13-/m1/s1.
What are the key properties of (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylpropanamide?
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylpropanamide has a molecular weight of 302.44 g/mol, XLogP of 3.86, 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-propan-2-ylpropanamide is sourced from PubChem (CID 9456586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).