2-[[5-[[(4-fluorophenyl)sulfonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide

C19H21FN2O4S — CID 54406213

IUPAC2-[[5-[[(4-fluorophenyl)sulfonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
SMILESNC(=O)COc1cccc2c1CCCC2CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O4S/c20-14-7-9-15(10-8-14)27(24,25)22-11-13-3-1-5-17-16(13)4-2-6-18(17)26-12-19(21)23/h2,4,6-10,13,22H,1,3,5,11-12H2,(H2,21,23)
InChIKeyVQWCLNZICWSTID-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.09
Rot. Bonds7

About 2-[[5-[[(4-fluorophenyl)sulfonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide

2-[[5-[[(4-fluorophenyl)sulfonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide (PubChem CID 54406213) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 2-[[5-[[(4-fluorophenyl)sulfonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[5-[[(4-fluorophenyl)sulfonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
PubChem CID54406213
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name2-[[5-[[(4-fluorophenyl)sulfonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
SMILESNC(=O)COc1cccc2c1CCCC2CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O4S/c20-14-7-9-15(10-8-14)27(24,25)22-11-13-3-1-5-17-16(13)4-2-6-18(17)26-12-19(21)23/h2,4,6-10,13,22H,1,3,5,11-12H2,(H2,21,23)
InChIKeyVQWCLNZICWSTID-UHFFFAOYSA-N
XLogP2.09
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[5-[[(4-fluorophenyl)sulfonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[(4-fluorophenyl)sulfonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide?
The IUPAC name of 2-[[5-[[(4-fluorophenyl)sulfonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide (CID 54406213) is 2-[[5-[[(4-fluorophenyl)sulfonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide.
What is the SMILES notation for 2-[[5-[[(4-fluorophenyl)sulfonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide?
The canonical SMILES for 2-[[5-[[(4-fluorophenyl)sulfonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide is NC(=O)COc1cccc2c1CCCC2CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[[5-[[(4-fluorophenyl)sulfonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide?
The InChIKey is VQWCLNZICWSTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c20-14-7-9-15(10-8-14)27(24,25)22-11-13-3-1-5-17-16(13)4-2-6-18(17)26-12-19(21)23/h2,4,6-10,13,22H,1,3,5,11-12H2,(H2,21,23).
What are the key properties of 2-[[5-[[(4-fluorophenyl)sulfonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide?
2-[[5-[[(4-fluorophenyl)sulfonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide has a molecular weight of 392.45 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[[(4-fluorophenyl)sulfonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide is sourced from PubChem (CID 54406213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).