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

C22H28N2O5S — CID 24981960

IUPACN-(4-piperidin-1-ylsulfonylphenyl)-2-(2-propoxyphenoxy)acetamide
SMILESCCCOc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H28N2O5S/c1-2-16-28-20-8-4-5-9-21(20)29-17-22(25)23-18-10-12-19(13-11-18)30(26,27)24-14-6-3-7-15-24/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,23,25)
InChIKeyXOBRUTDUUBOHKA-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.67
Rot. Bonds9

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

N-(4-piperidin-1-ylsulfonylphenyl)-2-(2-propoxyphenoxy)acetamide (PubChem CID 24981960) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is N-(4-piperidin-1-ylsulfonylphenyl)-2-(2-propoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylsulfonylphenyl)-2-(2-propoxyphenoxy)acetamide
PubChem CID24981960
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC NameN-(4-piperidin-1-ylsulfonylphenyl)-2-(2-propoxyphenoxy)acetamide
SMILESCCCOc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H28N2O5S/c1-2-16-28-20-8-4-5-9-21(20)29-17-22(25)23-18-10-12-19(13-11-18)30(26,27)24-14-6-3-7-15-24/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,23,25)
InChIKeyXOBRUTDUUBOHKA-UHFFFAOYSA-N
XLogP3.67
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)-2-(2-propoxyphenoxy)acetamide?
The IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)-2-(2-propoxyphenoxy)acetamide (CID 24981960) is N-(4-piperidin-1-ylsulfonylphenyl)-2-(2-propoxyphenoxy)acetamide.
What is the SMILES notation for N-(4-piperidin-1-ylsulfonylphenyl)-2-(2-propoxyphenoxy)acetamide?
The canonical SMILES for N-(4-piperidin-1-ylsulfonylphenyl)-2-(2-propoxyphenoxy)acetamide is CCCOc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(4-piperidin-1-ylsulfonylphenyl)-2-(2-propoxyphenoxy)acetamide?
The InChIKey is XOBRUTDUUBOHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-2-16-28-20-8-4-5-9-21(20)29-17-22(25)23-18-10-12-19(13-11-18)30(26,27)24-14-6-3-7-15-24/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,23,25).
What are the key properties of N-(4-piperidin-1-ylsulfonylphenyl)-2-(2-propoxyphenoxy)acetamide?
N-(4-piperidin-1-ylsulfonylphenyl)-2-(2-propoxyphenoxy)acetamide has a molecular weight of 432.54 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylsulfonylphenyl)-2-(2-propoxyphenoxy)acetamide is sourced from PubChem (CID 24981960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).