2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

C22H28N2O5S — CID 17122717

IUPAC2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCCOCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H28N2O5S/c1-2-28-16-17-29-21-9-5-4-8-20(21)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)
InChIKeyGAVXUPKDKWLRLU-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.53
Rot. Bonds9

About 2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 17122717) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID17122717
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Name2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCCOCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H28N2O5S/c1-2-28-16-17-29-21-9-5-4-8-20(21)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)
InChIKeyGAVXUPKDKWLRLU-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 17122736
2-propoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 4947884
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-(2-ethoxyethoxy)benzamide
CID 17122780
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 4945392
2-(2-methoxyethoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide
CID 17355942
N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355940
2-(2-ethoxyethoxy)-N-(4-sulfamoylphenyl)benzamide
CID 17122684
2-(2-ethoxyethoxy)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 17122669
2-(2-methoxyethoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17355372
2-hexoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 4942049
2-(2-phenoxyethoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide
CID 4954618
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide
CID 1010223

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (CID 17122717) is 2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is CCOCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is GAVXUPKDKWLRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-2-28-16-17-29-21-9-5-4-8-20(21)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 2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 432.54 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 17122717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).