1-cyclopropyl-N-[2-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide

C24H30F2N2O3S — CID 66745247

IUPAC1-cyclopropyl-N-[2-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide
SMILESCNCC1Cc2cc(F)c(OCCNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(F)c1
InChIInChI=1S/C24H30F2N2O3S/c1-27-14-19-11-18-12-23(26)24(31-8-7-28-32(29,30)15-16-5-6-16)13-22(18)21(19)10-17-3-2-4-20(25)9-17/h2-4,9,12-13,16,19,21,27-28H,5-8,10-11,14-15H2,1H3
InChIKeyIPKDRLNTCOLMRC-UHFFFAOYSA-N
MW464.58 g/mol
LogP3.39
Rot. Bonds11

About 1-cyclopropyl-N-[2-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide

1-cyclopropyl-N-[2-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide (PubChem CID 66745247) has the molecular formula C24H30F2N2O3S and a molecular weight of 464.58 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide
PubChem CID66745247
Molecular FormulaC24H30F2N2O3S
Molecular Weight464.58 g/mol
Exact Mass464.19
IUPAC Name1-cyclopropyl-N-[2-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide
SMILESCNCC1Cc2cc(F)c(OCCNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(F)c1
InChIInChI=1S/C24H30F2N2O3S/c1-27-14-19-11-18-12-23(26)24(31-8-7-28-32(29,30)15-16-5-6-16)13-22(18)21(19)10-17-3-2-4-20(25)9-17/h2-4,9,12-13,16,19,21,27-28H,5-8,10-11,14-15H2,1H3
InChIKeyIPKDRLNTCOLMRC-UHFFFAOYSA-N
XLogP3.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.58
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide?
The IUPAC name of 1-cyclopropyl-N-[2-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide (CID 66745247) is 1-cyclopropyl-N-[2-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-[2-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide?
The canonical SMILES for 1-cyclopropyl-N-[2-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide is CNCC1Cc2cc(F)c(OCCNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(F)c1.
What is the InChIKey of 1-cyclopropyl-N-[2-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide?
The InChIKey is IPKDRLNTCOLMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N2O3S/c1-27-14-19-11-18-12-23(26)24(31-8-7-28-32(29,30)15-16-5-6-16)13-22(18)21(19)10-17-3-2-4-20(25)9-17/h2-4,9,12-13,16,19,21,27-28H,5-8,10-11,14-15H2,1H3.
What are the key properties of 1-cyclopropyl-N-[2-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide?
1-cyclopropyl-N-[2-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide has a molecular weight of 464.58 g/mol, XLogP of 3.39, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]methanesulfonamide is sourced from PubChem (CID 66745247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).