6-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]phenyl]sulfonyl-5,7-dihydro-4H-furo[2,3-c]pyridine

C26H30N2O4S — CID 18326648

IUPAC6-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]phenyl]sulfonyl-5,7-dihydro-4H-furo[2,3-c]pyridine
SMILESO=S(=O)(c1ccc(-c2ccc(OCCCN3CCCC3)cc2)cc1)N1CCc2ccoc2C1
InChIInChI=1S/C26H30N2O4S/c29-33(30,28-17-12-23-13-19-32-26(23)20-28)25-10-6-22(7-11-25)21-4-8-24(9-5-21)31-18-3-16-27-14-1-2-15-27/h4-11,13,19H,1-3,12,14-18,20H2
InChIKeyCMBHBSWXJGUWED-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.56
Rot. Bonds8

About 6-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]phenyl]sulfonyl-5,7-dihydro-4H-furo[2,3-c]pyridine

6-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]phenyl]sulfonyl-5,7-dihydro-4H-furo[2,3-c]pyridine (PubChem CID 18326648) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 6-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]phenyl]sulfonyl-5,7-dihydro-4H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name6-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]phenyl]sulfonyl-5,7-dihydro-4H-furo[2,3-c]pyridine
PubChem CID18326648
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name6-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]phenyl]sulfonyl-5,7-dihydro-4H-furo[2,3-c]pyridine
SMILESO=S(=O)(c1ccc(-c2ccc(OCCCN3CCCC3)cc2)cc1)N1CCc2ccoc2C1
InChIInChI=1S/C26H30N2O4S/c29-33(30,28-17-12-23-13-19-32-26(23)20-28)25-10-6-22(7-11-25)21-4-8-24(9-5-21)31-18-3-16-27-14-1-2-15-27/h4-11,13,19H,1-3,12,14-18,20H2
InChIKeyCMBHBSWXJGUWED-UHFFFAOYSA-N
XLogP4.56
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzonitrile
CID 59640602
6-pyridin-4-ylsulfonyl-5,7-dihydro-4H-furo[2,3-c]pyridine
CID 22445497
6-(4-methylphenyl)sulfonyl-2-(3-piperidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 24947409
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
6-(4-ethylphenyl)sulfonyl-2-(3-piperidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 24947596
4-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 134007687
1-(4-propoxyphenyl)sulfonylpyrrolidine
CID 60755176
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856
4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,2,3,6-tetrahydropyridine
CID 69137569
1-[4-[4-(3-phenoxypropyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 9044143
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]phenyl]sulfonyl-5,7-dihydro-4H-furo[2,3-c]pyridine?
The IUPAC name of 6-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]phenyl]sulfonyl-5,7-dihydro-4H-furo[2,3-c]pyridine (CID 18326648) is 6-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]phenyl]sulfonyl-5,7-dihydro-4H-furo[2,3-c]pyridine.
What is the SMILES notation for 6-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]phenyl]sulfonyl-5,7-dihydro-4H-furo[2,3-c]pyridine?
The canonical SMILES for 6-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]phenyl]sulfonyl-5,7-dihydro-4H-furo[2,3-c]pyridine is O=S(=O)(c1ccc(-c2ccc(OCCCN3CCCC3)cc2)cc1)N1CCc2ccoc2C1.
What is the InChIKey of 6-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]phenyl]sulfonyl-5,7-dihydro-4H-furo[2,3-c]pyridine?
The InChIKey is CMBHBSWXJGUWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c29-33(30,28-17-12-23-13-19-32-26(23)20-28)25-10-6-22(7-11-25)21-4-8-24(9-5-21)31-18-3-16-27-14-1-2-15-27/h4-11,13,19H,1-3,12,14-18,20H2.
What are the key properties of 6-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]phenyl]sulfonyl-5,7-dihydro-4H-furo[2,3-c]pyridine?
6-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]phenyl]sulfonyl-5,7-dihydro-4H-furo[2,3-c]pyridine has a molecular weight of 466.60 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]phenyl]sulfonyl-5,7-dihydro-4H-furo[2,3-c]pyridine is sourced from PubChem (CID 18326648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).