N-[2-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]cyclobutanesulfonamide

C26H34N2O3S — CID 57467270

IUPACN-[2-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]cyclobutanesulfonamide
SMILESO=S(=O)(NCCOc1ccc2c(c1)C(Cc1ccccc1)C(N1CCC1)CC2)C1CCC1
InChIInChI=1S/C26H34N2O3S/c29-32(30,23-8-4-9-23)27-14-17-31-22-12-10-21-11-13-26(28-15-5-16-28)25(24(21)19-22)18-20-6-2-1-3-7-20/h1-3,6-7,10,12,19,23,25-27H,4-5,8-9,11,13-18H2
InChIKeyQUVGWWIFTVXFQT-UHFFFAOYSA-N
MW454.64 g/mol
LogP3.88
Rot. Bonds9

About N-[2-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]cyclobutanesulfonamide

N-[2-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]cyclobutanesulfonamide (PubChem CID 57467270) has the molecular formula C26H34N2O3S and a molecular weight of 454.64 g/mol. Its IUPAC name is N-[2-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]cyclobutanesulfonamide.

Molecular Properties

Compound NameN-[2-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]cyclobutanesulfonamide
PubChem CID57467270
Molecular FormulaC26H34N2O3S
Molecular Weight454.64 g/mol
Exact Mass454.23
IUPAC NameN-[2-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]cyclobutanesulfonamide
SMILESO=S(=O)(NCCOc1ccc2c(c1)C(Cc1ccccc1)C(N1CCC1)CC2)C1CCC1
InChIInChI=1S/C26H34N2O3S/c29-32(30,23-8-4-9-23)27-14-17-31-22-12-10-21-11-13-26(28-15-5-16-28)25(24(21)19-22)18-20-6-2-1-3-7-20/h1-3,6-7,10,12,19,23,25-27H,4-5,8-9,11,13-18H2
InChIKeyQUVGWWIFTVXFQT-UHFFFAOYSA-N
XLogP3.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.64
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]cyclobutanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]cyclobutanesulfonamide?
The IUPAC name of N-[2-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]cyclobutanesulfonamide (CID 57467270) is N-[2-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]cyclobutanesulfonamide.
What is the SMILES notation for N-[2-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]cyclobutanesulfonamide?
The canonical SMILES for N-[2-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]cyclobutanesulfonamide is O=S(=O)(NCCOc1ccc2c(c1)C(Cc1ccccc1)C(N1CCC1)CC2)C1CCC1.
What is the InChIKey of N-[2-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]cyclobutanesulfonamide?
The InChIKey is QUVGWWIFTVXFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3S/c29-32(30,23-8-4-9-23)27-14-17-31-22-12-10-21-11-13-26(28-15-5-16-28)25(24(21)19-22)18-20-6-2-1-3-7-20/h1-3,6-7,10,12,19,23,25-27H,4-5,8-9,11,13-18H2.
What are the key properties of N-[2-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]cyclobutanesulfonamide?
N-[2-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]cyclobutanesulfonamide has a molecular weight of 454.64 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]cyclobutanesulfonamide is sourced from PubChem (CID 57467270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).