N-[[6-fluoro-2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide

C24H28F4N2O2S — CID 56655949

IUPACN-[[6-fluoro-2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide
SMILESCNCC1Cc2cc(F)c(CNS(=O)(=O)C3CCC3)cc2C1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H28F4N2O2S/c1-29-13-17-10-16-12-23(25)18(14-30-33(31,32)20-6-3-7-20)11-22(16)21(17)9-15-4-2-5-19(8-15)24(26,27)28/h2,4-5,8,11-12,17,20-21,29-30H,3,6-7,9-10,13-14H2,1H3
InChIKeyMDBIREMHXPSBKR-UHFFFAOYSA-N
MW484.56 g/mol
LogP4.53
Rot. Bonds8

About N-[[6-fluoro-2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide

N-[[6-fluoro-2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide (PubChem CID 56655949) has the molecular formula C24H28F4N2O2S and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[[6-fluoro-2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide.

Molecular Properties

Compound NameN-[[6-fluoro-2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide
PubChem CID56655949
Molecular FormulaC24H28F4N2O2S
Molecular Weight484.56 g/mol
Exact Mass484.18
IUPAC NameN-[[6-fluoro-2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide
SMILESCNCC1Cc2cc(F)c(CNS(=O)(=O)C3CCC3)cc2C1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H28F4N2O2S/c1-29-13-17-10-16-12-23(25)18(14-30-33(31,32)20-6-3-7-20)11-22(16)21(17)9-15-4-2-5-19(8-15)24(26,27)28/h2,4-5,8,11-12,17,20-21,29-30H,3,6-7,9-10,13-14H2,1H3
InChIKeyMDBIREMHXPSBKR-UHFFFAOYSA-N
XLogP4.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[6-fluoro-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-[[6-fluoro-2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide?
The IUPAC name of N-[[6-fluoro-2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide (CID 56655949) is N-[[6-fluoro-2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide.
What is the SMILES notation for N-[[6-fluoro-2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide?
The canonical SMILES for N-[[6-fluoro-2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide is CNCC1Cc2cc(F)c(CNS(=O)(=O)C3CCC3)cc2C1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[6-fluoro-2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide?
The InChIKey is MDBIREMHXPSBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4N2O2S/c1-29-13-17-10-16-12-23(25)18(14-30-33(31,32)20-6-3-7-20)11-22(16)21(17)9-15-4-2-5-19(8-15)24(26,27)28/h2,4-5,8,11-12,17,20-21,29-30H,3,6-7,9-10,13-14H2,1H3.
What are the key properties of N-[[6-fluoro-2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide?
N-[[6-fluoro-2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide has a molecular weight of 484.56 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-fluoro-2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide is sourced from PubChem (CID 56655949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).