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

C23H29FN2O2S — CID 66745166

IUPACN-[[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide
SMILESCNCC1Cc2cc(F)c(CNS(=O)(=O)C3CCC3)cc2C1Cc1ccccc1
InChIInChI=1S/C23H29FN2O2S/c1-25-14-18-11-17-13-23(24)19(15-26-29(27,28)20-8-5-9-20)12-22(17)21(18)10-16-6-3-2-4-7-16/h2-4,6-7,12-13,18,20-21,25-26H,5,8-11,14-15H2,1H3
InChIKeyCUBOXINSEJXILT-UHFFFAOYSA-N
MW416.56 g/mol
LogP3.52
Rot. Bonds8

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

N-[[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide (PubChem CID 66745166) has the molecular formula C23H29FN2O2S and a molecular weight of 416.56 g/mol. Its IUPAC name is N-[[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide.

Molecular Properties

Compound NameN-[[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide
PubChem CID66745166
Molecular FormulaC23H29FN2O2S
Molecular Weight416.56 g/mol
Exact Mass416.19
IUPAC NameN-[[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide
SMILESCNCC1Cc2cc(F)c(CNS(=O)(=O)C3CCC3)cc2C1Cc1ccccc1
InChIInChI=1S/C23H29FN2O2S/c1-25-14-18-11-17-13-23(24)19(15-26-29(27,28)20-8-5-9-20)12-22(17)21(18)10-16-6-3-2-4-7-16/h2-4,6-7,12-13,18,20-21,25-26H,5,8-11,14-15H2,1H3
InChIKeyCUBOXINSEJXILT-UHFFFAOYSA-N
XLogP3.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.56
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide?
The IUPAC name of N-[[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide (CID 66745166) is N-[[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide.
What is the SMILES notation for N-[[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide?
The canonical SMILES for N-[[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide is CNCC1Cc2cc(F)c(CNS(=O)(=O)C3CCC3)cc2C1Cc1ccccc1.
What is the InChIKey of N-[[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide?
The InChIKey is CUBOXINSEJXILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2S/c1-25-14-18-11-17-13-23(24)19(15-26-29(27,28)20-8-5-9-20)12-22(17)21(18)10-16-6-3-2-4-7-16/h2-4,6-7,12-13,18,20-21,25-26H,5,8-11,14-15H2,1H3.
What are the key properties of N-[[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide?
N-[[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide has a molecular weight of 416.56 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide is sourced from PubChem (CID 66745166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).