(2R)-N-cyclopentyl-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide

C19H24N2OS — CID 7743628

IUPAC(2R)-N-cyclopentyl-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
SMILESCc1cc(S[C@H](C)C(=O)NC2CCCC2)nc2c(C)cccc12
InChIInChI=1S/C19H24N2OS/c1-12-7-6-10-16-13(2)11-17(21-18(12)16)23-14(3)19(22)20-15-8-4-5-9-15/h6-7,10-11,14-15H,4-5,8-9H2,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeyLTAHODDIQYPFPH-CQSZACIVSA-N
MW328.48 g/mol
LogP4.39
Rot. Bonds4

About (2R)-N-cyclopentyl-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide

(2R)-N-cyclopentyl-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide (PubChem CID 7743628) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
PubChem CID7743628
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name(2R)-N-cyclopentyl-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
SMILESCc1cc(S[C@H](C)C(=O)NC2CCCC2)nc2c(C)cccc12
InChIInChI=1S/C19H24N2OS/c1-12-7-6-10-16-13(2)11-17(21-18(12)16)23-14(3)19(22)20-15-8-4-5-9-15/h6-7,10-11,14-15H,4-5,8-9H2,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeyLTAHODDIQYPFPH-CQSZACIVSA-N
XLogP4.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylpropanamide
CID 9456586
(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)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363698
(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 7363821
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 46302049
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 8952780
N-(3,4-dimethoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 46301952
2-[1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide
CID 46647045
(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 7743647
2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 17432104

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-cyclopentyl-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide (CID 7743628) is (2R)-N-cyclopentyl-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-cyclopentyl-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-cyclopentyl-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide is Cc1cc(S[C@H](C)C(=O)NC2CCCC2)nc2c(C)cccc12.
What is the InChIKey of (2R)-N-cyclopentyl-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide?
The InChIKey is LTAHODDIQYPFPH-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-12-7-6-10-16-13(2)11-17(21-18(12)16)23-14(3)19(22)20-15-8-4-5-9-15/h6-7,10-11,14-15H,4-5,8-9H2,1-3H3,(H,20,22)/t14-/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide?
(2R)-N-cyclopentyl-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide has a molecular weight of 328.48 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 7743628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).