N-(2,6-dimethylphenyl)-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide

C21H22N2OS — CID 3867369

IUPACN-(2,6-dimethylphenyl)-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc2cccc(C)c2nc1SCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C21H22N2OS/c1-13-7-5-8-14(2)19(13)22-18(24)12-25-21-16(4)11-17-10-6-9-15(3)20(17)23-21/h5-11H,12H2,1-4H3,(H,22,24)
InChIKeySEJCDLCLUQGUTN-UHFFFAOYSA-N
MW350.49 g/mol
LogP5.20
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide

N-(2,6-dimethylphenyl)-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide (PubChem CID 3867369) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide
PubChem CID3867369
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC NameN-(2,6-dimethylphenyl)-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc2cccc(C)c2nc1SCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C21H22N2OS/c1-13-7-5-8-14(2)19(13)22-18(24)12-25-21-16(4)11-17-10-6-9-15(3)20(17)23-21/h5-11H,12H2,1-4H3,(H,22,24)
InChIKeySEJCDLCLUQGUTN-UHFFFAOYSA-N
XLogP5.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 1169549
2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide
CID 3207649
2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 865131
ethyl 2-[[2-(3,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]acetate
CID 3189717
2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 43812187
ethyl 4-[[2-(3-cyano-8-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1374548
N-(4-methylphenyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 1169552
2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 1374606
2-(3,8-dimethylquinolin-2-yl)sulfanyl-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 1176111
2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetic acid
CID 855595
[2-(2,6-dimethylanilino)-2-oxoethyl] thiocyanate
CID 5061616
N-(2,6-dimethylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135464045

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide (CID 3867369) is N-(2,6-dimethylphenyl)-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide is Cc1cc2cccc(C)c2nc1SCC(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide?
The InChIKey is SEJCDLCLUQGUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-13-7-5-8-14(2)19(13)22-18(24)12-25-21-16(4)11-17-10-6-9-15(3)20(17)23-21/h5-11H,12H2,1-4H3,(H,22,24).
What are the key properties of N-(2,6-dimethylphenyl)-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide?
N-(2,6-dimethylphenyl)-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide has a molecular weight of 350.49 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 3867369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).