2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

C20H24N2O5S — CID 1118216

IUPAC2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O5S/c1-26-17-7-9-18(10-8-17)27-15-20(23)21-16-5-11-19(12-6-16)28(24,25)22-13-3-2-4-14-22/h5-12H,2-4,13-15H2,1H3,(H,21,23)
InChIKeyGKEJQDTVMUUINE-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.89
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 1118216) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID1118216
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O5S/c1-26-17-7-9-18(10-8-17)27-15-20(23)21-16-5-11-19(12-6-16)28(24,25)22-13-3-2-4-14-22/h5-12H,2-4,13-15H2,1H3,(H,21,23)
InChIKeyGKEJQDTVMUUINE-UHFFFAOYSA-N
XLogP2.89
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 1118216) is 2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is GKEJQDTVMUUINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-26-17-7-9-18(10-8-17)27-15-20(23)21-16-5-11-19(12-6-16)28(24,25)22-13-3-2-4-14-22/h5-12H,2-4,13-15H2,1H3,(H,21,23).
What are the key properties of 2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 404.49 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 1118216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).