N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide

C21H26N2O5S — CID 1252432

IUPACN-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
SMILESCOc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H26N2O5S/c1-27-18-7-5-17(6-8-18)15-22-21(24)16-28-19-9-11-20(12-10-19)29(25,26)23-13-3-2-4-14-23/h5-12H,2-4,13-16H2,1H3,(H,22,24)
InChIKeyCHFXMWMPUJEPDT-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.57
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide

N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide (PubChem CID 1252432) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
PubChem CID1252432
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
SMILESCOc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H26N2O5S/c1-27-18-7-5-17(6-8-18)15-22-21(24)16-28-19-9-11-20(12-10-19)29(25,26)23-13-3-2-4-14-23/h5-12H,2-4,13-16H2,1H3,(H,22,24)
InChIKeyCHFXMWMPUJEPDT-UHFFFAOYSA-N
XLogP2.57
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide (CID 1252432) is N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide is COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide?
The InChIKey is CHFXMWMPUJEPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-27-18-7-5-17(6-8-18)15-22-21(24)16-28-19-9-11-20(12-10-19)29(25,26)23-13-3-2-4-14-23/h5-12H,2-4,13-16H2,1H3,(H,22,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide?
N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide has a molecular weight of 418.52 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 1252432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).