1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine

C20H23NO4S — CID 35327621

IUPAC1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
SMILESCOCCOc1ccc(S(=O)(=O)N2CC=C(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23NO4S/c1-24-15-16-25-19-7-9-20(10-8-19)26(22,23)21-13-11-18(12-14-21)17-5-3-2-4-6-17/h2-11H,12-16H2,1H3
InChIKeyKOJOXIWWZZEBIZ-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.19
Rot. Bonds7

About 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine

1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine (PubChem CID 35327621) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
PubChem CID35327621
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
SMILESCOCCOc1ccc(S(=O)(=O)N2CC=C(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23NO4S/c1-24-15-16-25-19-7-9-20(10-8-19)26(22,23)21-13-11-18(12-14-21)17-5-3-2-4-6-17/h2-11H,12-16H2,1H3
InChIKeyKOJOXIWWZZEBIZ-UHFFFAOYSA-N
XLogP3.19
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]propanoic acid
CID 139618961
1-(4-methylphenyl)sulfonyl-5-phenyl-2,3,4,7-tetrahydroazepine
CID 25193145
N,N-dimethyl-4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]benzenesulfonamide
CID 17421191
(3S,4R)-1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-phenylpyrrolidin-3-amine
CID 120766929
(3R)-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-3-ol
CID 66291408
(3S,4R)-1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766928
1-[1-[4-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978169
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
CID 8795280
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120715200
1-(3-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
CID 3715757
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779581

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine (CID 35327621) is 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine is COCCOc1ccc(S(=O)(=O)N2CC=C(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
The InChIKey is KOJOXIWWZZEBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-24-15-16-25-19-7-9-20(10-8-19)26(22,23)21-13-11-18(12-14-21)17-5-3-2-4-6-17/h2-11H,12-16H2,1H3.
What are the key properties of 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine has a molecular weight of 373.47 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 35327621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).