2-(4-methoxyphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]ethanesulfonamide

C21H28N2O4S — CID 121141795

IUPAC2-(4-methoxyphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)Nc2ccc(N3CCCC(OC)C3)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-26-20-11-5-17(6-12-20)13-15-28(24,25)22-18-7-9-19(10-8-18)23-14-3-4-21(16-23)27-2/h5-12,21-22H,3-4,13-16H2,1-2H3
InChIKeyXEIYAXIWYFGARL-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.29
Rot. Bonds8

About 2-(4-methoxyphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]ethanesulfonamide

2-(4-methoxyphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]ethanesulfonamide (PubChem CID 121141795) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]ethanesulfonamide
PubChem CID121141795
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2-(4-methoxyphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)Nc2ccc(N3CCCC(OC)C3)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-26-20-11-5-17(6-12-20)13-15-28(24,25)22-18-7-9-19(10-8-18)23-14-3-4-21(16-23)27-2/h5-12,21-22H,3-4,13-16H2,1-2H3
InChIKeyXEIYAXIWYFGARL-UHFFFAOYSA-N
XLogP3.29
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide
CID 90595556
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-phenoxypropane-1-sulfonamide
CID 121141858
4-ethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzenesulfonamide
CID 121141816
5-ethyl-N-[4-(3-methoxypiperidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 121141761
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)propanamide
CID 71809774
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,5-trimethylbenzenesulfonamide
CID 121141772
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 121141771
2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141569
2,5-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595596
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 121141754
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-phenylmethoxyphenyl)propanamide
CID 121141530
2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide
CID 97427776

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]ethanesulfonamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]ethanesulfonamide (CID 121141795) is 2-(4-methoxyphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]ethanesulfonamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]ethanesulfonamide is COc1ccc(CCS(=O)(=O)Nc2ccc(N3CCCC(OC)C3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]ethanesulfonamide?
The InChIKey is XEIYAXIWYFGARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-26-20-11-5-17(6-12-20)13-15-28(24,25)22-18-7-9-19(10-8-18)23-14-3-4-21(16-23)27-2/h5-12,21-22H,3-4,13-16H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]ethanesulfonamide?
2-(4-methoxyphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]ethanesulfonamide has a molecular weight of 404.53 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 121141795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).