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

C23H29FN2O2S — CID 56656377

IUPAC1-cyclopropyl-N-[[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide
SMILESCNCC1Cc2ccc(CNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(F)c1
InChIInChI=1S/C23H29FN2O2S/c1-25-14-20-12-19-8-7-18(13-26-29(27,28)15-16-5-6-16)11-22(19)23(20)10-17-3-2-4-21(24)9-17/h2-4,7-9,11,16,20,23,25-26H,5-6,10,12-15H2,1H3
InChIKeyVETXVANFELLCFI-UHFFFAOYSA-N
MW416.56 g/mol
LogP3.37
Rot. Bonds9

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

1-cyclopropyl-N-[[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide (PubChem CID 56656377) has the molecular formula C23H29FN2O2S and a molecular weight of 416.56 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide
PubChem CID56656377
Molecular FormulaC23H29FN2O2S
Molecular Weight416.56 g/mol
Exact Mass416.19
IUPAC Name1-cyclopropyl-N-[[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide
SMILESCNCC1Cc2ccc(CNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(F)c1
InChIInChI=1S/C23H29FN2O2S/c1-25-14-20-12-19-8-7-18(13-26-29(27,28)15-16-5-6-16)11-22(19)23(20)10-17-3-2-4-21(24)9-17/h2-4,7-9,11,16,20,23,25-26H,5-6,10,12-15H2,1H3
InChIKeyVETXVANFELLCFI-UHFFFAOYSA-N
XLogP3.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.56
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-N-[[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide 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 1-cyclopropyl-N-[[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide?
The IUPAC name of 1-cyclopropyl-N-[[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide (CID 56656377) is 1-cyclopropyl-N-[[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-[[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-cyclopropyl-N-[[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide is CNCC1Cc2ccc(CNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(F)c1.
What is the InChIKey of 1-cyclopropyl-N-[[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide?
The InChIKey is VETXVANFELLCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2S/c1-25-14-20-12-19-8-7-18(13-26-29(27,28)15-16-5-6-16)11-22(19)23(20)10-17-3-2-4-21(24)9-17/h2-4,7-9,11,16,20,23,25-26H,5-6,10,12-15H2,1H3.
What are the key properties of 1-cyclopropyl-N-[[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide?
1-cyclopropyl-N-[[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide has a molecular weight of 416.56 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]methanesulfonamide is sourced from PubChem (CID 56656377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).