2-(2-formylphenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide

C21H24N2O5S — CID 7763032

IUPAC2-(2-formylphenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2C=O)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H24N2O5S/c1-16-9-10-18(13-20(16)29(26,27)23-11-5-2-6-12-23)22-21(25)15-28-19-8-4-3-7-17(19)14-24/h3-4,7-10,13-14H,2,5-6,11-12,15H2,1H3,(H,22,25)
InChIKeyRYSGAOWPEVLRMD-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.00
Rot. Bonds7

About 2-(2-formylphenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide

2-(2-formylphenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 7763032) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is 2-(2-formylphenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-formylphenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID7763032
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Name2-(2-formylphenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2C=O)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H24N2O5S/c1-16-9-10-18(13-20(16)29(26,27)23-11-5-2-6-12-23)22-21(25)15-28-19-8-4-3-7-17(19)14-24/h3-4,7-10,13-14H,2,5-6,11-12,15H2,1H3,(H,22,25)
InChIKeyRYSGAOWPEVLRMD-UHFFFAOYSA-N
XLogP3.00
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(2-fluorophenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 55329553
2-(2-hydroxyphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8933983
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-methylsulfonylphenoxy)acetamide
CID 55358975
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 5195219
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-1-yloxyacetamide
CID 26218315
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide
CID 35728693
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
N-[4-(azepan-1-yl)phenyl]-2-(2-formylphenoxy)acetamide
CID 9009767
3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119263648
[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 4876007
N-(3,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126394212

Frequently Asked Questions

What is the IUPAC name of 2-(2-formylphenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-formylphenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide (CID 7763032) is 2-(2-formylphenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-formylphenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-formylphenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccccc2C=O)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-(2-formylphenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is RYSGAOWPEVLRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-16-9-10-18(13-20(16)29(26,27)23-11-5-2-6-12-23)22-21(25)15-28-19-8-4-3-7-17(19)14-24/h3-4,7-10,13-14H,2,5-6,11-12,15H2,1H3,(H,22,25).
What are the key properties of 2-(2-formylphenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
2-(2-formylphenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 416.50 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylphenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 7763032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).