N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-phenoxypropane-1-sulfonamide

C21H28N2O4S — CID 121141858

IUPACN-[4-(3-methoxypiperidin-1-yl)phenyl]-3-phenoxypropane-1-sulfonamide
SMILESCOC1CCCN(c2ccc(NS(=O)(=O)CCCOc3ccccc3)cc2)C1
InChIInChI=1S/C21H28N2O4S/c1-26-21-9-5-14-23(17-21)19-12-10-18(11-13-19)22-28(24,25)16-6-15-27-20-7-3-2-4-8-20/h2-4,7-8,10-13,21-22H,5-6,9,14-17H2,1H3
InChIKeyWMNDUMBMZJODIW-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.51
Rot. Bonds9

About N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-phenoxypropane-1-sulfonamide

N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-phenoxypropane-1-sulfonamide (PubChem CID 121141858) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-phenoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-methoxypiperidin-1-yl)phenyl]-3-phenoxypropane-1-sulfonamide
PubChem CID121141858
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-[4-(3-methoxypiperidin-1-yl)phenyl]-3-phenoxypropane-1-sulfonamide
SMILESCOC1CCCN(c2ccc(NS(=O)(=O)CCCOc3ccccc3)cc2)C1
InChIInChI=1S/C21H28N2O4S/c1-26-21-9-5-14-23(17-21)19-12-10-18(11-13-19)22-28(24,25)16-6-15-27-20-7-3-2-4-8-20/h2-4,7-8,10-13,21-22H,5-6,9,14-17H2,1H3
InChIKeyWMNDUMBMZJODIW-UHFFFAOYSA-N
XLogP3.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide
CID 90595556
2-(4-methoxyphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]ethanesulfonamide
CID 121141795
4-ethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzenesulfonamide
CID 121141816
3-methoxy-1-phenylpiperidine
CID 70382121
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 121141771
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,5-trimethylbenzenesulfonamide
CID 121141772
1-(3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]methanesulfonamide
CID 90595560
5-ethyl-N-[4-(3-methoxypiperidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 121141761
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-ethoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141474
2-(4-chlorophenoxy)-N-[4-[(3R)-3-methoxypiperidin-1-yl]phenyl]acetamide
CID 97427785

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-phenoxypropane-1-sulfonamide?
The IUPAC name of N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-phenoxypropane-1-sulfonamide (CID 121141858) is N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-phenoxypropane-1-sulfonamide.
What is the SMILES notation for N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-phenoxypropane-1-sulfonamide?
The canonical SMILES for N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-phenoxypropane-1-sulfonamide is COC1CCCN(c2ccc(NS(=O)(=O)CCCOc3ccccc3)cc2)C1.
What is the InChIKey of N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-phenoxypropane-1-sulfonamide?
The InChIKey is WMNDUMBMZJODIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-26-21-9-5-14-23(17-21)19-12-10-18(11-13-19)22-28(24,25)16-6-15-27-20-7-3-2-4-8-20/h2-4,7-8,10-13,21-22H,5-6,9,14-17H2,1H3.
What are the key properties of N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-phenoxypropane-1-sulfonamide?
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-phenoxypropane-1-sulfonamide has a molecular weight of 404.53 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-phenoxypropane-1-sulfonamide is sourced from PubChem (CID 121141858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).