N-naphthalen-2-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide

C24H22N2OS — CID 40612518

IUPACN-naphthalen-2-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(C)c2nc(SCC(=O)Nc3ccc4ccccc4c3)cc(C)c2c1
InChIInChI=1S/C24H22N2OS/c1-15-10-17(3)24-21(11-15)16(2)12-23(26-24)28-14-22(27)25-20-9-8-18-6-4-5-7-19(18)13-20/h4-13H,14H2,1-3H3,(H,25,27)
InChIKeyHMNPOEKTHXBRFD-UHFFFAOYSA-N
MW386.52 g/mol
LogP6.04
Rot. Bonds4

About N-naphthalen-2-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide

N-naphthalen-2-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide (PubChem CID 40612518) has the molecular formula C24H22N2OS and a molecular weight of 386.52 g/mol. Its IUPAC name is N-naphthalen-2-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
PubChem CID40612518
Molecular FormulaC24H22N2OS
Molecular Weight386.52 g/mol
Exact Mass386.15
IUPAC NameN-naphthalen-2-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(C)c2nc(SCC(=O)Nc3ccc4ccccc4c3)cc(C)c2c1
InChIInChI=1S/C24H22N2OS/c1-15-10-17(3)24-21(11-15)16(2)12-23(26-24)28-14-22(27)25-20-9-8-18-6-4-5-7-19(18)13-20/h4-13H,14H2,1-3H3,(H,25,27)
InChIKeyHMNPOEKTHXBRFD-UHFFFAOYSA-N
XLogP6.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 40605922
methyl 2-[[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 46302735
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 39757967
N-naphthalen-2-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylacetamide
CID 1322911
2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 860358
N-[(2S)-butan-2-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 2582039
2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 46302853
N-(2-chlorophenyl)-2-[methyl-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]acetamide
CID 2443834
N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755203
4-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid
CID 22695352
N-(9,10-dioxoanthracen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 5034835
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 7363718

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-naphthalen-2-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide (CID 40612518) is N-naphthalen-2-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-naphthalen-2-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-naphthalen-2-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide is Cc1cc(C)c2nc(SCC(=O)Nc3ccc4ccccc4c3)cc(C)c2c1.
What is the InChIKey of N-naphthalen-2-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide?
The InChIKey is HMNPOEKTHXBRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2OS/c1-15-10-17(3)24-21(11-15)16(2)12-23(26-24)28-14-22(27)25-20-9-8-18-6-4-5-7-19(18)13-20/h4-13H,14H2,1-3H3,(H,25,27).
What are the key properties of N-naphthalen-2-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide?
N-naphthalen-2-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide has a molecular weight of 386.52 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 40612518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).