2-quinolin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propanamide

C17H16N2OS2 — CID 17438384

IUPAC2-quinolin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(Sc1ccc2ccccc2n1)C(=O)NCc1cccs1
InChIInChI=1S/C17H16N2OS2/c1-12(17(20)18-11-14-6-4-10-21-14)22-16-9-8-13-5-2-3-7-15(13)19-16/h2-10,12H,11H2,1H3,(H,18,20)
InChIKeyCIYOMJPGZLYEKT-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.09
Rot. Bonds5

About 2-quinolin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propanamide

2-quinolin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 17438384) has the molecular formula C17H16N2OS2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-quinolin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-quinolin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID17438384
Molecular FormulaC17H16N2OS2
Molecular Weight328.46 g/mol
Exact Mass328.07
IUPAC Name2-quinolin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(Sc1ccc2ccccc2n1)C(=O)NCc1cccs1
InChIInChI=1S/C17H16N2OS2/c1-12(17(20)18-11-14-6-4-10-21-14)22-16-9-8-13-5-2-3-7-15(13)19-16/h2-10,12H,11H2,1H3,(H,18,20)
InChIKeyCIYOMJPGZLYEKT-UHFFFAOYSA-N
XLogP4.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-2-quinolin-2-ylsulfanylpropanamide
CID 51233888
(2S)-N-[(2R)-2-phenylpropyl]-2-quinolin-2-ylsulfanylpropanamide
CID 7754781
(2S)-2-(1H-imidazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propanamide
CID 96526260
N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide
CID 17416780
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-quinolin-2-ylsulfanylpropanamide
CID 7755383
(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 34852732
(2R)-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 92503455
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 75834916
(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 8727252
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 24585582
(2R)-2-quinolin-2-ylsulfanylpropanoic acid
CID 950909
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide
CID 46301712

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2-quinolin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propanamide (CID 17438384) is 2-quinolin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-quinolin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2-quinolin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propanamide is CC(Sc1ccc2ccccc2n1)C(=O)NCc1cccs1.
What is the InChIKey of 2-quinolin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is CIYOMJPGZLYEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS2/c1-12(17(20)18-11-14-6-4-10-21-14)22-16-9-8-13-5-2-3-7-15(13)19-16/h2-10,12H,11H2,1H3,(H,18,20).
What are the key properties of 2-quinolin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propanamide?
2-quinolin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 328.46 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 17438384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).