2-(3-benzylquinolin-2-yl)sulfanyl-N,N-diethylacetamide

C22H24N2OS — CID 1440326

IUPAC2-(3-benzylquinolin-2-yl)sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc2ccccc2cc1Cc1ccccc1
InChIInChI=1S/C22H24N2OS/c1-3-24(4-2)21(25)16-26-22-19(14-17-10-6-5-7-11-17)15-18-12-8-9-13-20(18)23-22/h5-13,15H,3-4,14,16H2,1-2H3
InChIKeyCULRYJBHAUIRHG-UHFFFAOYSA-N
MW364.51 g/mol
LogP4.79
Rot. Bonds7

About 2-(3-benzylquinolin-2-yl)sulfanyl-N,N-diethylacetamide

2-(3-benzylquinolin-2-yl)sulfanyl-N,N-diethylacetamide (PubChem CID 1440326) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is 2-(3-benzylquinolin-2-yl)sulfanyl-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(3-benzylquinolin-2-yl)sulfanyl-N,N-diethylacetamide
PubChem CID1440326
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name2-(3-benzylquinolin-2-yl)sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc2ccccc2cc1Cc1ccccc1
InChIInChI=1S/C22H24N2OS/c1-3-24(4-2)21(25)16-26-22-19(14-17-10-6-5-7-11-17)15-18-12-8-9-13-20(18)23-22/h5-13,15H,3-4,14,16H2,1-2H3
InChIKeyCULRYJBHAUIRHG-UHFFFAOYSA-N
XLogP4.79
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide
CID 857646
2-(3-benzylquinolin-2-yl)sulfanylacetamide
CID 857980
2-(3-ethylquinolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 857618
2-(3-benzylquinolin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 1440322
N,N-dibenzyl-2-[3-[2-(dibenzylamino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylacetamide
CID 3641810
3-benzyl-2-chloroquinoline
CID 14001237
N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylethanamine;hydrochloride
CID 171668935
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide
CID 3640790
N-[(2-chloroquinolin-3-yl)methyl]-N-(2-phenylethyl)tetradecanamide
CID 42706224
N,N-diethyl-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide
CID 1155414
N,N-diethyl-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 664383
N-benzyl-N-ethyl-2-phenylsulfanylacetamide
CID 1122625

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylquinolin-2-yl)sulfanyl-N,N-diethylacetamide?
The IUPAC name of 2-(3-benzylquinolin-2-yl)sulfanyl-N,N-diethylacetamide (CID 1440326) is 2-(3-benzylquinolin-2-yl)sulfanyl-N,N-diethylacetamide.
What is the SMILES notation for 2-(3-benzylquinolin-2-yl)sulfanyl-N,N-diethylacetamide?
The canonical SMILES for 2-(3-benzylquinolin-2-yl)sulfanyl-N,N-diethylacetamide is CCN(CC)C(=O)CSc1nc2ccccc2cc1Cc1ccccc1.
What is the InChIKey of 2-(3-benzylquinolin-2-yl)sulfanyl-N,N-diethylacetamide?
The InChIKey is CULRYJBHAUIRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-3-24(4-2)21(25)16-26-22-19(14-17-10-6-5-7-11-17)15-18-12-8-9-13-20(18)23-22/h5-13,15H,3-4,14,16H2,1-2H3.
What are the key properties of 2-(3-benzylquinolin-2-yl)sulfanyl-N,N-diethylacetamide?
2-(3-benzylquinolin-2-yl)sulfanyl-N,N-diethylacetamide has a molecular weight of 364.51 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylquinolin-2-yl)sulfanyl-N,N-diethylacetamide is sourced from PubChem (CID 1440326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).