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

C23H29FN2O2S — CID 66744412

IUPACN-[[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide
SMILESCNCC1Cc2ccc(CNS(=O)(=O)C3CCC3)cc2C1Cc1cccc(F)c1
InChIInChI=1S/C23H29FN2O2S/c1-25-15-19-13-18-9-8-17(14-26-29(27,28)21-6-3-7-21)12-22(18)23(19)11-16-4-2-5-20(24)10-16/h2,4-5,8-10,12,19,21,23,25-26H,3,6-7,11,13-15H2,1H3
InChIKeyRNOQIQKCELNDKS-UHFFFAOYSA-N
MW416.56 g/mol
LogP3.52
Rot. Bonds8

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

N-[[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide (PubChem CID 66744412) has the molecular formula C23H29FN2O2S and a molecular weight of 416.56 g/mol. Its IUPAC name is N-[[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide.

Molecular Properties

Compound NameN-[[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide
PubChem CID66744412
Molecular FormulaC23H29FN2O2S
Molecular Weight416.56 g/mol
Exact Mass416.19
IUPAC NameN-[[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide
SMILESCNCC1Cc2ccc(CNS(=O)(=O)C3CCC3)cc2C1Cc1cccc(F)c1
InChIInChI=1S/C23H29FN2O2S/c1-25-15-19-13-18-9-8-17(14-26-29(27,28)21-6-3-7-21)12-22(18)23(19)11-16-4-2-5-20(24)10-16/h2,4-5,8-10,12,19,21,23,25-26H,3,6-7,11,13-15H2,1H3
InChIKeyRNOQIQKCELNDKS-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-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide?
The IUPAC name of N-[[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide (CID 66744412) is N-[[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide.
What is the SMILES notation for N-[[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide?
The canonical SMILES for N-[[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide is CNCC1Cc2ccc(CNS(=O)(=O)C3CCC3)cc2C1Cc1cccc(F)c1.
What is the InChIKey of N-[[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide?
The InChIKey is RNOQIQKCELNDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2S/c1-25-15-19-13-18-9-8-17(14-26-29(27,28)21-6-3-7-21)12-22(18)23(19)11-16-4-2-5-20(24)10-16/h2,4-5,8-10,12,19,21,23,25-26H,3,6-7,11,13-15H2,1H3.
What are the key properties of N-[[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide?
N-[[3-[(3-fluorophenyl)methyl]-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-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]cyclobutanesulfonamide is sourced from PubChem (CID 66744412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).