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

C25H31F3N2O2S — CID 123528819

IUPAC1-cyclopropyl-N-[2-[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]ethyl]methanesulfonamide
SMILESCNCC1C(CCNS(=O)(=O)CC2CC2)c2ccccc2C1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H31F3N2O2S/c1-29-15-24-22(11-12-30-33(31,32)16-17-9-10-17)20-7-2-3-8-21(20)23(24)14-18-5-4-6-19(13-18)25(26,27)28/h2-8,13,17,22-24,29-30H,9-12,14-16H2,1H3
InChIKeyCMBKZRVYMQGBPO-UHFFFAOYSA-N
MW480.60 g/mol
LogP4.68
Rot. Bonds10

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

1-cyclopropyl-N-[2-[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]ethyl]methanesulfonamide (PubChem CID 123528819) has the molecular formula C25H31F3N2O2S and a molecular weight of 480.60 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]ethyl]methanesulfonamide
PubChem CID123528819
Molecular FormulaC25H31F3N2O2S
Molecular Weight480.60 g/mol
Exact Mass480.21
IUPAC Name1-cyclopropyl-N-[2-[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]ethyl]methanesulfonamide
SMILESCNCC1C(CCNS(=O)(=O)CC2CC2)c2ccccc2C1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H31F3N2O2S/c1-29-15-24-22(11-12-30-33(31,32)16-17-9-10-17)20-7-2-3-8-21(20)23(24)14-18-5-4-6-19(13-18)25(26,27)28/h2-8,13,17,22-24,29-30H,9-12,14-16H2,1H3
InChIKeyCMBKZRVYMQGBPO-UHFFFAOYSA-N
XLogP4.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.60
LogP ≤ 54.68
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-[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]ethyl]methanesulfonamide?
The IUPAC name of 1-cyclopropyl-N-[2-[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]ethyl]methanesulfonamide (CID 123528819) is 1-cyclopropyl-N-[2-[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-[2-[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for 1-cyclopropyl-N-[2-[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]ethyl]methanesulfonamide is CNCC1C(CCNS(=O)(=O)CC2CC2)c2ccccc2C1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-cyclopropyl-N-[2-[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]ethyl]methanesulfonamide?
The InChIKey is CMBKZRVYMQGBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N2O2S/c1-29-15-24-22(11-12-30-33(31,32)16-17-9-10-17)20-7-2-3-8-21(20)23(24)14-18-5-4-6-19(13-18)25(26,27)28/h2-8,13,17,22-24,29-30H,9-12,14-16H2,1H3.
What are the key properties of 1-cyclopropyl-N-[2-[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]ethyl]methanesulfonamide?
1-cyclopropyl-N-[2-[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]ethyl]methanesulfonamide has a molecular weight of 480.60 g/mol, XLogP of 4.68, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 123528819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).