2-[[5-(methanesulfonamido)-1,2,3,4-tetrahydroquinolin-8-yl]oxy]-N-methylacetamide

C13H19N3O4S — CID 144895666

IUPAC2-[[5-(methanesulfonamido)-1,2,3,4-tetrahydroquinolin-8-yl]oxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(NS(C)(=O)=O)c2c1NCCC2
InChIInChI=1S/C13H19N3O4S/c1-14-12(17)8-20-11-6-5-10(16-21(2,18)19)9-4-3-7-15-13(9)11/h5-6,15-16H,3-4,7-8H2,1-2H3,(H,14,17)
InChIKeyRFKKWMGUNPRLLB-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.54
Rot. Bonds5

About 2-[[5-(methanesulfonamido)-1,2,3,4-tetrahydroquinolin-8-yl]oxy]-N-methylacetamide

2-[[5-(methanesulfonamido)-1,2,3,4-tetrahydroquinolin-8-yl]oxy]-N-methylacetamide (PubChem CID 144895666) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-[[5-(methanesulfonamido)-1,2,3,4-tetrahydroquinolin-8-yl]oxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[[5-(methanesulfonamido)-1,2,3,4-tetrahydroquinolin-8-yl]oxy]-N-methylacetamide
PubChem CID144895666
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name2-[[5-(methanesulfonamido)-1,2,3,4-tetrahydroquinolin-8-yl]oxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(NS(C)(=O)=O)c2c1NCCC2
InChIInChI=1S/C13H19N3O4S/c1-14-12(17)8-20-11-6-5-10(16-21(2,18)19)9-4-3-7-15-13(9)11/h5-6,15-16H,3-4,7-8H2,1-2H3,(H,14,17)
InChIKeyRFKKWMGUNPRLLB-UHFFFAOYSA-N
XLogP0.54
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;N-methyl-2-[(5-nitro-1,2,3,4-tetrahydroquinolin-8-yl)oxy]acetamide;1-(2-phenylethyl)pyrrolidine
CID 144895584
2-[[8-(methanesulfonamido)-1-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide
CID 142796916
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
N-pentan-2-yl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide
CID 61026655
3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-piperidin-3-ylbenzamide
CID 119425199
N-methyl-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6462750
N-cyclopentyl-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide
CID 103045089
2-(2-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]acetamide
CID 35368287
2-[2-(methanesulfonamido)phenyl]-N-methylacetamide
CID 61061403
2-(2,3-dichloro-4-sulfamoylphenoxy)-N-methylacetamide
CID 82911048
2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 43276291
4-methoxy-3-[2-(methylamino)-2-oxoethoxy]benzoic acid
CID 24709160

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methanesulfonamido)-1,2,3,4-tetrahydroquinolin-8-yl]oxy]-N-methylacetamide?
The IUPAC name of 2-[[5-(methanesulfonamido)-1,2,3,4-tetrahydroquinolin-8-yl]oxy]-N-methylacetamide (CID 144895666) is 2-[[5-(methanesulfonamido)-1,2,3,4-tetrahydroquinolin-8-yl]oxy]-N-methylacetamide.
What is the SMILES notation for 2-[[5-(methanesulfonamido)-1,2,3,4-tetrahydroquinolin-8-yl]oxy]-N-methylacetamide?
The canonical SMILES for 2-[[5-(methanesulfonamido)-1,2,3,4-tetrahydroquinolin-8-yl]oxy]-N-methylacetamide is CNC(=O)COc1ccc(NS(C)(=O)=O)c2c1NCCC2.
What is the InChIKey of 2-[[5-(methanesulfonamido)-1,2,3,4-tetrahydroquinolin-8-yl]oxy]-N-methylacetamide?
The InChIKey is RFKKWMGUNPRLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-14-12(17)8-20-11-6-5-10(16-21(2,18)19)9-4-3-7-15-13(9)11/h5-6,15-16H,3-4,7-8H2,1-2H3,(H,14,17).
What are the key properties of 2-[[5-(methanesulfonamido)-1,2,3,4-tetrahydroquinolin-8-yl]oxy]-N-methylacetamide?
2-[[5-(methanesulfonamido)-1,2,3,4-tetrahydroquinolin-8-yl]oxy]-N-methylacetamide has a molecular weight of 313.38 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methanesulfonamido)-1,2,3,4-tetrahydroquinolin-8-yl]oxy]-N-methylacetamide is sourced from PubChem (CID 144895666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).