N-[(3,4-dimethoxyphenyl)methyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide

C23H26N2O3S — CID 4852619

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
SMILESCOc1ccc(CNC(=O)CSc2cc(C)c3cc(C)cc(C)c3n2)cc1OC
InChIInChI=1S/C23H26N2O3S/c1-14-8-16(3)23-18(9-14)15(2)10-22(25-23)29-13-21(26)24-12-17-6-7-19(27-4)20(11-17)28-5/h6-11H,12-13H2,1-5H3,(H,24,26)
InChIKeyBKTGPOXTEVYYQA-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.59
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide (PubChem CID 4852619) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
PubChem CID4852619
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
SMILESCOc1ccc(CNC(=O)CSc2cc(C)c3cc(C)cc(C)c3n2)cc1OC
InChIInChI=1S/C23H26N2O3S/c1-14-8-16(3)23-18(9-14)15(2)10-22(25-23)29-13-21(26)24-12-17-6-7-19(27-4)20(11-17)28-5/h6-11H,12-13H2,1-5H3,(H,24,26)
InChIKeyBKTGPOXTEVYYQA-UHFFFAOYSA-N
XLogP4.59
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 22695408
2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 860358
N-(4-acetamidophenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 40605922
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide
CID 2707709
methyl 2-[[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 46302735
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 23800629
2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 2523123
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133917
N-[(2S)-butan-2-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 2582039
2-(3,4-dimethoxyphenyl)-N-(2,6,8-trimethylquinolin-4-yl)acetamide
CID 42589559
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9454278
N-naphthalen-2-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 40612518

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide (CID 4852619) is N-[(3,4-dimethoxyphenyl)methyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide is COc1ccc(CNC(=O)CSc2cc(C)c3cc(C)cc(C)c3n2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide?
The InChIKey is BKTGPOXTEVYYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-14-8-16(3)23-18(9-14)15(2)10-22(25-23)29-13-21(26)24-12-17-6-7-19(27-4)20(11-17)28-5/h6-11H,12-13H2,1-5H3,(H,24,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide has a molecular weight of 410.54 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 4852619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).