2-(2-nitrophenoxy)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

C19H21N3O6S — CID 4810681

IUPAC2-(2-nitrophenoxy)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H21N3O6S/c23-19(14-28-18-10-3-2-9-17(18)22(24)25)20-15-7-6-8-16(13-15)29(26,27)21-11-4-1-5-12-21/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,20,23)
InChIKeyYVNBFUZKCIUQEZ-UHFFFAOYSA-N
MW419.46 g/mol
LogP2.79
Rot. Bonds7

About 2-(2-nitrophenoxy)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

2-(2-nitrophenoxy)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4810681) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID4810681
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC Name2-(2-nitrophenoxy)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H21N3O6S/c23-19(14-28-18-10-3-2-9-17(18)22(24)25)20-15-7-6-8-16(13-15)29(26,27)21-11-4-1-5-12-21/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,20,23)
InChIKeyYVNBFUZKCIUQEZ-UHFFFAOYSA-N
XLogP2.79
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluorophenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 5172072
N-(3-piperidin-1-ylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 7926190
2-(5-fluoro-2-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2565697
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-nitrophenoxy)acetamide
CID 4931080
N-(2,3-dichlorophenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 4213935
[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl] 4-nitrobenzoate
CID 71904990
2-(2,4-dichlorophenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4798258
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 4313786
[1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-(2-nitrophenoxy)acetate
CID 42969797
N-[2-(difluoromethoxy)phenyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 4306342
2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 35728244
2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4015126

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-nitrophenoxy)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (CID 4810681) is 2-(2-nitrophenoxy)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-nitrophenoxy)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 2-(2-nitrophenoxy)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is YVNBFUZKCIUQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S/c23-19(14-28-18-10-3-2-9-17(18)22(24)25)20-15-7-6-8-16(13-15)29(26,27)21-11-4-1-5-12-21/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,20,23).
What are the key properties of 2-(2-nitrophenoxy)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
2-(2-nitrophenoxy)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 419.46 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4810681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).