2-(2-fluorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide

C20H23FN2O4S — CID 5253110

IUPAC2-(2-fluorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2ccccc2F)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H23FN2O4S/c1-27-18-10-9-16(22-20(24)13-15-7-3-4-8-17(15)21)14-19(18)28(25,26)23-11-5-2-6-12-23/h3-4,7-10,14H,2,5-6,11-13H2,1H3,(H,22,24)
InChIKeyXQKDDDYHVNIMME-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.19
Rot. Bonds6

About 2-(2-fluorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide

2-(2-fluorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 5253110) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID5253110
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC Name2-(2-fluorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2ccccc2F)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H23FN2O4S/c1-27-18-10-9-16(22-20(24)13-15-7-3-4-8-17(15)21)14-19(18)28(25,26)23-11-5-2-6-12-23/h3-4,7-10,14H,2,5-6,11-13H2,1H3,(H,22,24)
InChIKeyXQKDDDYHVNIMME-UHFFFAOYSA-N
XLogP3.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide (CID 5253110) is 2-(2-fluorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide is COc1ccc(NC(=O)Cc2ccccc2F)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-(2-fluorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is XQKDDDYHVNIMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-27-18-10-9-16(22-20(24)13-15-7-3-4-8-17(15)21)14-19(18)28(25,26)23-11-5-2-6-12-23/h3-4,7-10,14H,2,5-6,11-13H2,1H3,(H,22,24).
What are the key properties of 2-(2-fluorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
2-(2-fluorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 406.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 5253110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).