N-(2-methylpropyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide

C17H22N2OS — CID 46621109

IUPACN-(2-methylpropyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide
SMILESCc1cc(SC(C)C(=O)NCC(C)C)nc2ccccc12
InChIInChI=1S/C17H22N2OS/c1-11(2)10-18-17(20)13(4)21-16-9-12(3)14-7-5-6-8-15(14)19-16/h5-9,11,13H,10H2,1-4H3,(H,18,20)
InChIKeyZXDUVCUYTJDNNP-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.80
Rot. Bonds5

About N-(2-methylpropyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide

N-(2-methylpropyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide (PubChem CID 46621109) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide
PubChem CID46621109
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-(2-methylpropyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide
SMILESCc1cc(SC(C)C(=O)NCC(C)C)nc2ccccc12
InChIInChI=1S/C17H22N2OS/c1-11(2)10-18-17(20)13(4)21-16-9-12(3)14-7-5-6-8-15(14)19-16/h5-9,11,13H,10H2,1-4H3,(H,18,20)
InChIKeyZXDUVCUYTJDNNP-UHFFFAOYSA-N
XLogP3.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-methylquinolin-2-yl)sulfanyl-N-(2,4,5-trichlorophenyl)propanamide
CID 2420043
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylquinolin-2-yl)sulfanylpropanamide
CID 46301876
2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 3557418
(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylquinolin-2-yl)sulfanylpropanamide
CID 41084416
(2R)-2-(4-methylquinolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41041760
(2S)-2-(4-methylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 42272488
(2R)-2-(4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 41138346
(2R)-N-carbamoyl-3-methyl-2-(4-methylquinolin-2-yl)sulfanylbutanamide
CID 41328404
N-benzyl-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78452543
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-methylpropyl)propanamide
CID 55420439
(2S)-N-[(2R)-2-phenylpropyl]-2-quinolin-2-ylsulfanylpropanamide
CID 7754781
ethyl (2R)-2-(4-methylquinolin-2-yl)sulfanylbutanoate
CID 864913

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide?
The IUPAC name of N-(2-methylpropyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide (CID 46621109) is N-(2-methylpropyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(2-methylpropyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide is Cc1cc(SC(C)C(=O)NCC(C)C)nc2ccccc12.
What is the InChIKey of N-(2-methylpropyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide?
The InChIKey is ZXDUVCUYTJDNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-11(2)10-18-17(20)13(4)21-16-9-12(3)14-7-5-6-8-15(14)19-16/h5-9,11,13H,10H2,1-4H3,(H,18,20).
What are the key properties of N-(2-methylpropyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide?
N-(2-methylpropyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide has a molecular weight of 302.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 46621109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).