N-propyl-2-quinolin-2-ylsulfanylpropanamide

C15H18N2OS — CID 51233888

IUPACN-propyl-2-quinolin-2-ylsulfanylpropanamide
SMILESCCCNC(=O)C(C)Sc1ccc2ccccc2n1
InChIInChI=1S/C15H18N2OS/c1-3-10-16-15(18)11(2)19-14-9-8-12-6-4-5-7-13(12)17-14/h4-9,11H,3,10H2,1-2H3,(H,16,18)
InChIKeyJFWPGIRJVWNFGY-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.24
Rot. Bonds5

About N-propyl-2-quinolin-2-ylsulfanylpropanamide

N-propyl-2-quinolin-2-ylsulfanylpropanamide (PubChem CID 51233888) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-propyl-2-quinolin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-propyl-2-quinolin-2-ylsulfanylpropanamide
PubChem CID51233888
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-propyl-2-quinolin-2-ylsulfanylpropanamide
SMILESCCCNC(=O)C(C)Sc1ccc2ccccc2n1
InChIInChI=1S/C15H18N2OS/c1-3-10-16-15(18)11(2)19-14-9-8-12-6-4-5-7-13(12)17-14/h4-9,11H,3,10H2,1-2H3,(H,16,18)
InChIKeyJFWPGIRJVWNFGY-UHFFFAOYSA-N
XLogP3.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2R)-2-phenylpropyl]-2-quinolin-2-ylsulfanylpropanamide
CID 7754781
ethyl 2-quinolin-2-ylsulfanylpropanoate
CID 46302535
N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide
CID 17416780
2-quinolin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 17438384
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-quinolin-2-ylsulfanylpropanamide
CID 7755383
(2R)-2-quinolin-2-ylsulfanylpropanoic acid
CID 950909
N-(propylcarbamoyl)-2-quinoxalin-2-ylsulfanylpropanamide
CID 118418588
(2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272482
(2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272522
(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpropanamide
CID 26733168
(2S)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272463
(2R)-2-quinolin-2-ylsulfanyl-N-(2,4,6-trichlorophenyl)propanamide
CID 7754952

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-quinolin-2-ylsulfanylpropanamide?
The IUPAC name of N-propyl-2-quinolin-2-ylsulfanylpropanamide (CID 51233888) is N-propyl-2-quinolin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-propyl-2-quinolin-2-ylsulfanylpropanamide?
The canonical SMILES for N-propyl-2-quinolin-2-ylsulfanylpropanamide is CCCNC(=O)C(C)Sc1ccc2ccccc2n1.
What is the InChIKey of N-propyl-2-quinolin-2-ylsulfanylpropanamide?
The InChIKey is JFWPGIRJVWNFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-10-16-15(18)11(2)19-14-9-8-12-6-4-5-7-13(12)17-14/h4-9,11H,3,10H2,1-2H3,(H,16,18).
What are the key properties of N-propyl-2-quinolin-2-ylsulfanylpropanamide?
N-propyl-2-quinolin-2-ylsulfanylpropanamide has a molecular weight of 274.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-quinolin-2-ylsulfanylpropanamide is sourced from PubChem (CID 51233888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).