N-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide

C24H29F3N2O2S — CID 66744137

IUPACN-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide
SMILESCNCC1Cc2ccc(CNS(=O)(=O)C3CCC3)cc2C1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H29F3N2O2S/c1-28-15-19-13-18-9-8-17(14-29-32(30,31)21-6-3-7-21)12-22(18)23(19)11-16-4-2-5-20(10-16)24(25,26)27/h2,4-5,8-10,12,19,21,23,28-29H,3,6-7,11,13-15H2,1H3
InChIKeyREAXXSYAPZOPAR-UHFFFAOYSA-N
MW466.57 g/mol
LogP4.40
Rot. Bonds8

About N-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide

N-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide (PubChem CID 66744137) has the molecular formula C24H29F3N2O2S and a molecular weight of 466.57 g/mol. Its IUPAC name is N-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide.

Molecular Properties

Compound NameN-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide
PubChem CID66744137
Molecular FormulaC24H29F3N2O2S
Molecular Weight466.57 g/mol
Exact Mass466.19
IUPAC NameN-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide
SMILESCNCC1Cc2ccc(CNS(=O)(=O)C3CCC3)cc2C1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H29F3N2O2S/c1-28-15-19-13-18-9-8-17(14-29-32(30,31)21-6-3-7-21)12-22(18)23(19)11-16-4-2-5-20(10-16)24(25,26)27/h2,4-5,8-10,12,19,21,23,28-29H,3,6-7,11,13-15H2,1H3
InChIKeyREAXXSYAPZOPAR-UHFFFAOYSA-N
XLogP4.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.57
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]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-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide?
The IUPAC name of N-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide (CID 66744137) is N-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide.
What is the SMILES notation for N-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide?
The canonical SMILES for N-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide is CNCC1Cc2ccc(CNS(=O)(=O)C3CCC3)cc2C1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide?
The InChIKey is REAXXSYAPZOPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N2O2S/c1-28-15-19-13-18-9-8-17(14-29-32(30,31)21-6-3-7-21)12-22(18)23(19)11-16-4-2-5-20(10-16)24(25,26)27/h2,4-5,8-10,12,19,21,23,28-29H,3,6-7,11,13-15H2,1H3.
What are the key properties of N-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide?
N-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide has a molecular weight of 466.57 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide is sourced from PubChem (CID 66744137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).