(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide

C16H19N3O2S — CID 7743634

IUPAC(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)Sc1cc(C)c2cccc(C)c2n1
InChIInChI=1S/C16H19N3O2S/c1-9-6-5-7-12-10(2)8-13(18-14(9)12)22-11(3)15(20)19-16(21)17-4/h5-8,11H,1-4H3,(H2,17,19,20,21)/t11-/m1/s1
InChIKeyASRCPPSTHPNISZ-LLVKDONJSA-N
MW317.41 g/mol
LogP2.79
Rot. Bonds3

About (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide

(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide (PubChem CID 7743634) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
PubChem CID7743634
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)Sc1cc(C)c2cccc(C)c2n1
InChIInChI=1S/C16H19N3O2S/c1-9-6-5-7-12-10(2)8-13(18-14(9)12)22-11(3)15(20)19-16(21)17-4/h5-8,11H,1-4H3,(H2,17,19,20,21)/t11-/m1/s1
InChIKeyASRCPPSTHPNISZ-LLVKDONJSA-N
XLogP2.79
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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)-N-cyclopentyl-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7743628
(2R)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363698
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 42345164
(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
(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-(methylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide (CID 7743634) is (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@@H](C)Sc1cc(C)c2cccc(C)c2n1.
What is the InChIKey of (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide?
The InChIKey is ASRCPPSTHPNISZ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-9-6-5-7-12-10(2)8-13(18-14(9)12)22-11(3)15(20)19-16(21)17-4/h5-8,11H,1-4H3,(H2,17,19,20,21)/t11-/m1/s1.
What are the key properties of (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide?
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide has a molecular weight of 317.41 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 7743634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).