N-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide

C18H20N2O4S — CID 90641021

IUPACN-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)COc2ccnc3c2CCCC3)cc1
InChIInChI=1S/C18H20N2O4S/c1-25(22,23)14-8-6-13(7-9-14)20-18(21)12-24-17-10-11-19-16-5-3-2-4-15(16)17/h6-11H,2-5,12H2,1H3,(H,20,21)
InChIKeyRFWFBEYWYAAZCX-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.38
Rot. Bonds5

About N-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide

N-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide (PubChem CID 90641021) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
PubChem CID90641021
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)COc2ccnc3c2CCCC3)cc1
InChIInChI=1S/C18H20N2O4S/c1-25(22,23)14-8-6-13(7-9-14)20-18(21)12-24-17-10-11-19-16-5-3-2-4-15(16)17/h6-11H,2-5,12H2,1H3,(H,20,21)
InChIKeyRFWFBEYWYAAZCX-UHFFFAOYSA-N
XLogP2.38
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640820
methyl 4-[[2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetyl]amino]benzoate
CID 90640857
N-(4-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640835
N-(4-cyanophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90641003
N-pyridin-3-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640912
2-(5,6,7,8-tetrahydroquinolin-4-yloxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 90640680
2-[[2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetyl]amino]benzamide
CID 90640860
N-(2-methyl-5-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640899
N-butyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640746
2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 26239246
N-octyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640940
N-[2-(diethylamino)ethyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640769

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The IUPAC name of N-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide (CID 90641021) is N-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The canonical SMILES for N-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide is CS(=O)(=O)c1ccc(NC(=O)COc2ccnc3c2CCCC3)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The InChIKey is RFWFBEYWYAAZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-25(22,23)14-8-6-13(7-9-14)20-18(21)12-24-17-10-11-19-16-5-3-2-4-15(16)17/h6-11H,2-5,12H2,1H3,(H,20,21).
What are the key properties of N-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
N-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide has a molecular weight of 360.44 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide is sourced from PubChem (CID 90641021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).