N-(2,6-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetamide

C21H22N2O2S — CID 1162986

IUPACN-(2,6-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetamide
SMILESCOc1ccc2nc(C)cc(SCC(=O)Nc3c(C)cccc3C)c2c1
InChIInChI=1S/C21H22N2O2S/c1-13-6-5-7-14(2)21(13)23-20(24)12-26-19-10-15(3)22-18-9-8-16(25-4)11-17(18)19/h5-11H,12H2,1-4H3,(H,23,24)
InChIKeyPZVMFLARDASJIX-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.90
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetamide

N-(2,6-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetamide (PubChem CID 1162986) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetamide
PubChem CID1162986
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-(2,6-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetamide
SMILESCOc1ccc2nc(C)cc(SCC(=O)Nc3c(C)cccc3C)c2c1
InChIInChI=1S/C21H22N2O2S/c1-13-6-5-7-14(2)21(13)23-20(24)12-26-19-10-15(3)22-18-9-8-16(25-4)11-17(18)19/h5-11H,12H2,1-4H3,(H,23,24)
InChIKeyPZVMFLARDASJIX-UHFFFAOYSA-N
XLogP4.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetamide (CID 1162986) is N-(2,6-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetamide is COc1ccc2nc(C)cc(SCC(=O)Nc3c(C)cccc3C)c2c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetamide?
The InChIKey is PZVMFLARDASJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-13-6-5-7-14(2)21(13)23-20(24)12-26-19-10-15(3)22-18-9-8-16(25-4)11-17(18)19/h5-11H,12H2,1-4H3,(H,23,24).
What are the key properties of N-(2,6-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetamide?
N-(2,6-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetamide has a molecular weight of 366.49 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 1162986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).