1-[2-(2-ethylphenoxy)acetyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

C22H27N3O5S — CID 55395932

IUPAC1-[2-(2-ethylphenoxy)acetyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
SMILESCCc1ccccc1OCC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C22H27N3O5S/c1-2-16-5-3-4-6-20(16)30-15-21(26)25-13-11-17(12-14-25)22(27)24-18-7-9-19(10-8-18)31(23,28)29/h3-10,17H,2,11-15H2,1H3,(H,24,27)(H2,23,28,29)
InChIKeyZEDVRZPRSBBTNO-UHFFFAOYSA-N
MW445.54 g/mol
LogP2.15
Rot. Bonds7

About 1-[2-(2-ethylphenoxy)acetyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

1-[2-(2-ethylphenoxy)acetyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide (PubChem CID 55395932) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is 1-[2-(2-ethylphenoxy)acetyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-ethylphenoxy)acetyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
PubChem CID55395932
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC Name1-[2-(2-ethylphenoxy)acetyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
SMILESCCc1ccccc1OCC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C22H27N3O5S/c1-2-16-5-3-4-6-20(16)30-15-21(26)25-13-11-17(12-14-25)22(27)24-18-7-9-19(10-8-18)31(23,28)29/h3-10,17H,2,11-15H2,1H3,(H,24,27)(H2,23,28,29)
InChIKeyZEDVRZPRSBBTNO-UHFFFAOYSA-N
XLogP2.15
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2-ethylphenoxy)acetate
CID 2608393
2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 78760389
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
1-(2-benzylbenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 41308368
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
4-[2-(2-ethylphenoxy)acetyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 55599509
1-[(E)-3-phenylprop-2-enoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 26500394
1-[2-(2-aminophenoxy)acetyl]-N-methylpiperidine-4-carboxamide
CID 43575397
1-[2-(2-cyanophenoxy)acetyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71864234
1-N-[(2S)-pentan-2-yl]-4-N-(4-sulfamoylphenyl)piperidine-1,4-dicarboxamide
CID 41134383
1-[(1S,2S)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 41308321
1-[(1S,2R)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 41308319

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylphenoxy)acetyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-ethylphenoxy)acetyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide (CID 55395932) is 1-[2-(2-ethylphenoxy)acetyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-ethylphenoxy)acetyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-ethylphenoxy)acetyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide is CCc1ccccc1OCC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 1-[2-(2-ethylphenoxy)acetyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The InChIKey is ZEDVRZPRSBBTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-2-16-5-3-4-6-20(16)30-15-21(26)25-13-11-17(12-14-25)22(27)24-18-7-9-19(10-8-18)31(23,28)29/h3-10,17H,2,11-15H2,1H3,(H,24,27)(H2,23,28,29).
What are the key properties of 1-[2-(2-ethylphenoxy)acetyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
1-[2-(2-ethylphenoxy)acetyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylphenoxy)acetyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 55395932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).