N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide

C16H20N2OS — CID 17416780

IUPACN-tert-butyl-2-quinolin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccc2ccccc2n1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H20N2OS/c1-11(15(19)18-16(2,3)4)20-14-10-9-12-7-5-6-8-13(12)17-14/h5-11H,1-4H3,(H,18,19)
InChIKeyQBPQBFHXJCYZGW-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.63
Rot. Bonds3

About N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide

N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide (PubChem CID 17416780) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-2-quinolin-2-ylsulfanylpropanamide
PubChem CID17416780
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-tert-butyl-2-quinolin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccc2ccccc2n1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H20N2OS/c1-11(15(19)18-16(2,3)4)20-14-10-9-12-7-5-6-8-13(12)17-14/h5-11H,1-4H3,(H,18,19)
InChIKeyQBPQBFHXJCYZGW-UHFFFAOYSA-N
XLogP3.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-2-quinolin-2-ylsulfanylpropanamide
CID 51233888
(2R)-2-quinolin-2-ylsulfanylpropanoic acid
CID 950909
(2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272522
(2S)-N-[(2R)-2-phenylpropyl]-2-quinolin-2-ylsulfanylpropanamide
CID 7754781
(2S)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272463
(2R)-2-quinolin-2-ylsulfanyl-N-(2,4,6-trichlorophenyl)propanamide
CID 7754952
(2R)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272462
(2R)-N-(2-phenylphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 7754955
ethyl 2-quinolin-2-ylsulfanylpropanoate
CID 46302535
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide
CID 46301712
2-quinolin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide
CID 17431422
2-quinolin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 17438384

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide?
The IUPAC name of N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide (CID 17416780) is N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide?
The canonical SMILES for N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide is CC(Sc1ccc2ccccc2n1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide?
The InChIKey is QBPQBFHXJCYZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11(15(19)18-16(2,3)4)20-14-10-9-12-7-5-6-8-13(12)17-14/h5-11H,1-4H3,(H,18,19).
What are the key properties of N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide?
N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide has a molecular weight of 288.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide is sourced from PubChem (CID 17416780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).