N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethyl]butane-1-sulfonamide

C25H33ClN2O3S — CID 58246387

IUPACN-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCOc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)NCC2
InChIInChI=1S/C25H33ClN2O3S/c1-2-3-17-32(29,30)28-15-16-31-22-10-5-19-11-14-27-24(23(19)18-22)25(12-4-13-25)20-6-8-21(26)9-7-20/h5-10,18,24,27-28H,2-4,11-17H2,1H3
InChIKeyTYJNQYTZEHIJAV-UHFFFAOYSA-N
MW477.07 g/mol
LogP4.75
Rot. Bonds10

About N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethyl]butane-1-sulfonamide

N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethyl]butane-1-sulfonamide (PubChem CID 58246387) has the molecular formula C25H33ClN2O3S and a molecular weight of 477.07 g/mol. Its IUPAC name is N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethyl]butane-1-sulfonamide
PubChem CID58246387
Molecular FormulaC25H33ClN2O3S
Molecular Weight477.07 g/mol
Exact Mass476.19
IUPAC NameN-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCOc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)NCC2
InChIInChI=1S/C25H33ClN2O3S/c1-2-3-17-32(29,30)28-15-16-31-22-10-5-19-11-14-27-24(23(19)18-22)25(12-4-13-25)20-6-8-21(26)9-7-20/h5-10,18,24,27-28H,2-4,11-17H2,1H3
InChIKeyTYJNQYTZEHIJAV-UHFFFAOYSA-N
XLogP4.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.07
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethyl]butane-1-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]propylsulfonylamino]ethylcarbamic acid
CID 66868697
3-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]-N,N-dimethylpropane-1-sulfonamide
CID 58246254
N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethyl]-2-methoxybenzenesulfonamide;hydrochloride
CID 66868964
N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]amino]ethyl]propane-1-sulfonamide
CID 66868696
N-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]propane-1-sulfonamide
CID 58246231
N-(2-aminoethyl)-N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethyl]propane-1-sulfonamide
CID 58246216
4-[3-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]propylsulfonyl]piperazine-1-carboxylic acid
CID 66869069
N-[2-[7-[1-(4-chlorophenyl)cyclobutyl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl]ethyl]butane-1-sulfonamide
CID 58101310
N-[2-[[5-bromo-1-[1-(4-fluorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethyl]propane-1-sulfonamide
CID 70257726
2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide
CID 68977244
N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]ethyl]pyridine-3-sulfonamide;dihydrochloride
CID 66868627
3-[[1-[1-(4-hydroxyphenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]-N-pyridin-2-ylpropane-1-sulfonamide
CID 143871110

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethyl]butane-1-sulfonamide (CID 58246387) is N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCOc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)NCC2.
What is the InChIKey of N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethyl]butane-1-sulfonamide?
The InChIKey is TYJNQYTZEHIJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN2O3S/c1-2-3-17-32(29,30)28-15-16-31-22-10-5-19-11-14-27-24(23(19)18-22)25(12-4-13-25)20-6-8-21(26)9-7-20/h5-10,18,24,27-28H,2-4,11-17H2,1H3.
What are the key properties of N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethyl]butane-1-sulfonamide?
N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethyl]butane-1-sulfonamide has a molecular weight of 477.07 g/mol, XLogP of 4.75, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethyl]butane-1-sulfonamide is sourced from PubChem (CID 58246387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).