2,2,2-trifluoro-N-(8-methoxy-5-sulfamoyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

C13H15F3N2O4S — CID 76585456

IUPAC2,2,2-trifluoro-N-(8-methoxy-5-sulfamoyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESCOc1ccc(S(N)(=O)=O)c2c1CC(NC(=O)C(F)(F)F)CC2
InChIInChI=1S/C13H15F3N2O4S/c1-22-10-4-5-11(23(17,20)21)8-3-2-7(6-9(8)10)18-12(19)13(14,15)16/h4-5,7H,2-3,6H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyGSCJSCIIWCUTRA-UHFFFAOYSA-N
MW352.33 g/mol
LogP0.88
Rot. Bonds3

About 2,2,2-trifluoro-N-(8-methoxy-5-sulfamoyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

2,2,2-trifluoro-N-(8-methoxy-5-sulfamoyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 76585456) has the molecular formula C13H15F3N2O4S and a molecular weight of 352.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(8-methoxy-5-sulfamoyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(8-methoxy-5-sulfamoyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
PubChem CID76585456
Molecular FormulaC13H15F3N2O4S
Molecular Weight352.33 g/mol
Exact Mass352.07
IUPAC Name2,2,2-trifluoro-N-(8-methoxy-5-sulfamoyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESCOc1ccc(S(N)(=O)=O)c2c1CC(NC(=O)C(F)(F)F)CC2
InChIInChI=1S/C13H15F3N2O4S/c1-22-10-4-5-11(23(17,20)21)8-3-2-7(6-9(8)10)18-12(19)13(14,15)16/h4-5,7H,2-3,6H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyGSCJSCIIWCUTRA-UHFFFAOYSA-N
XLogP0.88
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(5-chloro-2-pyridinyl)sulfamoyl]-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2,2,2-trifluoroacetamide
CID 76585505
(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)urea;formic acid
CID 158989698
2,2,2-trifluoro-N-[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
CID 11448303
N-(6-bromo-5-methoxy-8-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)-2,2,2-trifluoroacetamide
CID 22082988
N-(4-chlorophenyl)-4-methoxy-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide
CID 73173660
N-[(2R)-8-methoxy-5-nitro-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
CID 129405272
N-cyclohexyl-4-methoxy-3-sulfamoylbenzamide
CID 60635033
N-ethyl-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 12924823
5,8-dimethoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 14023938
4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374757
[4-nitro-7-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl] trifluoromethanesulfonate
CID 18690041
5-methoxy-N,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 22082782

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(8-methoxy-5-sulfamoyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(8-methoxy-5-sulfamoyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (CID 76585456) is 2,2,2-trifluoro-N-(8-methoxy-5-sulfamoyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(8-methoxy-5-sulfamoyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(8-methoxy-5-sulfamoyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is COc1ccc(S(N)(=O)=O)c2c1CC(NC(=O)C(F)(F)F)CC2.
What is the InChIKey of 2,2,2-trifluoro-N-(8-methoxy-5-sulfamoyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is GSCJSCIIWCUTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O4S/c1-22-10-4-5-11(23(17,20)21)8-3-2-7(6-9(8)10)18-12(19)13(14,15)16/h4-5,7H,2-3,6H2,1H3,(H,18,19)(H2,17,20,21).
What are the key properties of 2,2,2-trifluoro-N-(8-methoxy-5-sulfamoyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
2,2,2-trifluoro-N-(8-methoxy-5-sulfamoyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 352.33 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(8-methoxy-5-sulfamoyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 76585456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).