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

C24H31FN2O2S — CID 56656428

IUPAC1-cyclopropyl-N-[2-[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]methanesulfonamide
SMILESCNCC1Cc2ccc(CCNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(F)c1
InChIInChI=1S/C24H31FN2O2S/c1-26-15-21-14-20-8-7-17(9-10-27-30(28,29)16-18-5-6-18)12-23(20)24(21)13-19-3-2-4-22(25)11-19/h2-4,7-8,11-12,18,21,24,26-27H,5-6,9-10,13-16H2,1H3
InChIKeyFJYWAZGZJODXDG-UHFFFAOYSA-N
MW430.59 g/mol
LogP3.42
Rot. Bonds10

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

1-cyclopropyl-N-[2-[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]methanesulfonamide (PubChem CID 56656428) has the molecular formula C24H31FN2O2S and a molecular weight of 430.59 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]methanesulfonamide
PubChem CID56656428
Molecular FormulaC24H31FN2O2S
Molecular Weight430.59 g/mol
Exact Mass430.21
IUPAC Name1-cyclopropyl-N-[2-[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]methanesulfonamide
SMILESCNCC1Cc2ccc(CCNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(F)c1
InChIInChI=1S/C24H31FN2O2S/c1-26-15-21-14-20-8-7-17(9-10-27-30(28,29)16-18-5-6-18)12-23(20)24(21)13-19-3-2-4-22(25)11-19/h2-4,7-8,11-12,18,21,24,26-27H,5-6,9-10,13-16H2,1H3
InChIKeyFJYWAZGZJODXDG-UHFFFAOYSA-N
XLogP3.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-N-[2-[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]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-[2-[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]methanesulfonamide?
The IUPAC name of 1-cyclopropyl-N-[2-[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]methanesulfonamide (CID 56656428) is 1-cyclopropyl-N-[2-[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-[2-[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]methanesulfonamide?
The canonical SMILES for 1-cyclopropyl-N-[2-[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]methanesulfonamide is CNCC1Cc2ccc(CCNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(F)c1.
What is the InChIKey of 1-cyclopropyl-N-[2-[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]methanesulfonamide?
The InChIKey is FJYWAZGZJODXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O2S/c1-26-15-21-14-20-8-7-17(9-10-27-30(28,29)16-18-5-6-18)12-23(20)24(21)13-19-3-2-4-22(25)11-19/h2-4,7-8,11-12,18,21,24,26-27H,5-6,9-10,13-16H2,1H3.
What are the key properties of 1-cyclopropyl-N-[2-[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]methanesulfonamide?
1-cyclopropyl-N-[2-[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]methanesulfonamide has a molecular weight of 430.59 g/mol, XLogP of 3.42, 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-[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 56656428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).