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

C24H29F3N2O2S — CID 56655947

IUPAC1-cyclopropyl-N-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide
SMILESCNCC1Cc2ccc(CNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H29F3N2O2S/c1-28-14-20-12-19-8-7-18(13-29-32(30,31)15-16-5-6-16)11-22(19)23(20)10-17-3-2-4-21(9-17)24(25,26)27/h2-4,7-9,11,16,20,23,28-29H,5-6,10,12-15H2,1H3
InChIKeyWIFAIIWPVKJXDQ-UHFFFAOYSA-N
MW466.57 g/mol
LogP4.25
Rot. Bonds9

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

1-cyclopropyl-N-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide (PubChem CID 56655947) has the molecular formula C24H29F3N2O2S and a molecular weight of 466.57 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide
PubChem CID56655947
Molecular FormulaC24H29F3N2O2S
Molecular Weight466.57 g/mol
Exact Mass466.19
IUPAC Name1-cyclopropyl-N-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide
SMILESCNCC1Cc2ccc(CNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H29F3N2O2S/c1-28-14-20-12-19-8-7-18(13-29-32(30,31)15-16-5-6-16)11-22(19)23(20)10-17-3-2-4-21(9-17)24(25,26)27/h2-4,7-9,11,16,20,23,28-29H,5-6,10,12-15H2,1H3
InChIKeyWIFAIIWPVKJXDQ-UHFFFAOYSA-N
XLogP4.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.57
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide?
The IUPAC name of 1-cyclopropyl-N-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide (CID 56655947) is 1-cyclopropyl-N-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-cyclopropyl-N-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide is CNCC1Cc2ccc(CNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-cyclopropyl-N-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide?
The InChIKey is WIFAIIWPVKJXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N2O2S/c1-28-14-20-12-19-8-7-18(13-29-32(30,31)15-16-5-6-16)11-22(19)23(20)10-17-3-2-4-21(9-17)24(25,26)27/h2-4,7-9,11,16,20,23,28-29H,5-6,10,12-15H2,1H3.
What are the key properties of 1-cyclopropyl-N-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide?
1-cyclopropyl-N-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide has a molecular weight of 466.57 g/mol, XLogP of 4.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide is sourced from PubChem (CID 56655947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).