2-(2-methoxyethoxy)-N-(2-methoxy-5-piperidin-1-ylphenyl)ethanesulfonamide

C17H28N2O5S — CID 110613184

IUPAC2-(2-methoxyethoxy)-N-(2-methoxy-5-piperidin-1-ylphenyl)ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)Nc1cc(N2CCCCC2)ccc1OC
InChIInChI=1S/C17H28N2O5S/c1-22-10-11-24-12-13-25(20,21)18-16-14-15(6-7-17(16)23-2)19-8-4-3-5-9-19/h6-7,14,18H,3-5,8-13H2,1-2H3
InChIKeyPEXSFGPINGQWPJ-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.09
Rot. Bonds10

About 2-(2-methoxyethoxy)-N-(2-methoxy-5-piperidin-1-ylphenyl)ethanesulfonamide

2-(2-methoxyethoxy)-N-(2-methoxy-5-piperidin-1-ylphenyl)ethanesulfonamide (PubChem CID 110613184) has the molecular formula C17H28N2O5S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-(2-methoxy-5-piperidin-1-ylphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-(2-methoxy-5-piperidin-1-ylphenyl)ethanesulfonamide
PubChem CID110613184
Molecular FormulaC17H28N2O5S
Molecular Weight372.49 g/mol
Exact Mass372.17
IUPAC Name2-(2-methoxyethoxy)-N-(2-methoxy-5-piperidin-1-ylphenyl)ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)Nc1cc(N2CCCCC2)ccc1OC
InChIInChI=1S/C17H28N2O5S/c1-22-10-11-24-12-13-25(20,21)18-16-14-15(6-7-17(16)23-2)19-8-4-3-5-9-19/h6-7,14,18H,3-5,8-13H2,1-2H3
InChIKeyPEXSFGPINGQWPJ-UHFFFAOYSA-N
XLogP2.09
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylphenyl)methanesulfonamide
CID 110359724
N-(2-methoxy-5-piperidin-1-ylphenyl)-1-(2-methylphenyl)methanesulfonamide
CID 110359721
N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359707
N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]butane-1-sulfonamide
CID 110428724
4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359709
4-acetyl-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359732
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide
CID 110362056
3,5-dimethoxy-N-(2-methoxy-5-piperidin-1-ylphenyl)benzamide
CID 110359680
2-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-5-methylbenzenesulfonamide
CID 110362064
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)propane-1-sulfonamide
CID 110361846
4-[4-methoxy-3-(methylsulfamoylamino)phenyl]piperazine-1-carbaldehyde
CID 110613961
N-(2-methoxy-5-piperidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
CID 110359714

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-(2-methoxy-5-piperidin-1-ylphenyl)ethanesulfonamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-(2-methoxy-5-piperidin-1-ylphenyl)ethanesulfonamide (CID 110613184) is 2-(2-methoxyethoxy)-N-(2-methoxy-5-piperidin-1-ylphenyl)ethanesulfonamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-(2-methoxy-5-piperidin-1-ylphenyl)ethanesulfonamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-(2-methoxy-5-piperidin-1-ylphenyl)ethanesulfonamide is COCCOCCS(=O)(=O)Nc1cc(N2CCCCC2)ccc1OC.
What is the InChIKey of 2-(2-methoxyethoxy)-N-(2-methoxy-5-piperidin-1-ylphenyl)ethanesulfonamide?
The InChIKey is PEXSFGPINGQWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5S/c1-22-10-11-24-12-13-25(20,21)18-16-14-15(6-7-17(16)23-2)19-8-4-3-5-9-19/h6-7,14,18H,3-5,8-13H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)-N-(2-methoxy-5-piperidin-1-ylphenyl)ethanesulfonamide?
2-(2-methoxyethoxy)-N-(2-methoxy-5-piperidin-1-ylphenyl)ethanesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 2.09, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-(2-methoxy-5-piperidin-1-ylphenyl)ethanesulfonamide is sourced from PubChem (CID 110613184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).