N-benzyl-2-(3,7-dimethylquinolin-2-yl)sulfanylacetamide

C20H20N2OS — CID 864546

IUPACN-benzyl-2-(3,7-dimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1ccc2cc(C)c(SCC(=O)NCc3ccccc3)nc2c1
InChIInChI=1S/C20H20N2OS/c1-14-8-9-17-11-15(2)20(22-18(17)10-14)24-13-19(23)21-12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,21,23)
InChIKeyMLNCJHNCHNAHAW-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.26
Rot. Bonds5

About N-benzyl-2-(3,7-dimethylquinolin-2-yl)sulfanylacetamide

N-benzyl-2-(3,7-dimethylquinolin-2-yl)sulfanylacetamide (PubChem CID 864546) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is N-benzyl-2-(3,7-dimethylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3,7-dimethylquinolin-2-yl)sulfanylacetamide
PubChem CID864546
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC NameN-benzyl-2-(3,7-dimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1ccc2cc(C)c(SCC(=O)NCc3ccccc3)nc2c1
InChIInChI=1S/C20H20N2OS/c1-14-8-9-17-11-15(2)20(22-18(17)10-14)24-13-19(23)21-12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,21,23)
InChIKeyMLNCJHNCHNAHAW-UHFFFAOYSA-N
XLogP4.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 1171908
methyl 2-(3,7-dimethylquinolin-2-yl)sulfanylacetate
CID 864543
methyl 2-[[2-(3,7-dimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1373381
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 651442
N-benzyl-2-(4-methylphthalazin-1-yl)sulfanylacetamide
CID 6401253
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 1151269
2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 1173473
N-benzyl-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanylacetamide
CID 33227808
N-benzyl-2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide
CID 3208242
N-(2-phenylethyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 1176184
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 3207633
N-benzyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide
CID 23611311

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,7-dimethylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-benzyl-2-(3,7-dimethylquinolin-2-yl)sulfanylacetamide (CID 864546) is N-benzyl-2-(3,7-dimethylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-(3,7-dimethylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-benzyl-2-(3,7-dimethylquinolin-2-yl)sulfanylacetamide is Cc1ccc2cc(C)c(SCC(=O)NCc3ccccc3)nc2c1.
What is the InChIKey of N-benzyl-2-(3,7-dimethylquinolin-2-yl)sulfanylacetamide?
The InChIKey is MLNCJHNCHNAHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-14-8-9-17-11-15(2)20(22-18(17)10-14)24-13-19(23)21-12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-benzyl-2-(3,7-dimethylquinolin-2-yl)sulfanylacetamide?
N-benzyl-2-(3,7-dimethylquinolin-2-yl)sulfanylacetamide has a molecular weight of 336.46 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,7-dimethylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 864546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).