N-[2-[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide

C24H31FN2O2S — CID 56656171

IUPACN-[2-[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide
SMILESCNCC1Cc2cc(F)c(CCNS(=O)(=O)CC3CC3)cc2C1Cc1ccccc1
InChIInChI=1S/C24H31FN2O2S/c1-26-15-21-12-20-14-24(25)19(9-10-27-30(28,29)16-18-7-8-18)13-23(20)22(21)11-17-5-3-2-4-6-17/h2-6,13-14,18,21-22,26-27H,7-12,15-16H2,1H3
InChIKeyDAGFYBVGDRQSOV-UHFFFAOYSA-N
MW430.59 g/mol
LogP3.42
Rot. Bonds10

About N-[2-[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide

N-[2-[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide (PubChem CID 56656171) has the molecular formula C24H31FN2O2S and a molecular weight of 430.59 g/mol. Its IUPAC name is N-[2-[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide
PubChem CID56656171
Molecular FormulaC24H31FN2O2S
Molecular Weight430.59 g/mol
Exact Mass430.21
IUPAC NameN-[2-[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide
SMILESCNCC1Cc2cc(F)c(CCNS(=O)(=O)CC3CC3)cc2C1Cc1ccccc1
InChIInChI=1S/C24H31FN2O2S/c1-26-15-21-12-20-14-24(25)19(9-10-27-30(28,29)16-18-7-8-18)13-23(20)22(21)11-17-5-3-2-4-6-17/h2-6,13-14,18,21-22,26-27H,7-12,15-16H2,1H3
InChIKeyDAGFYBVGDRQSOV-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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-[2-[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide (CID 56656171) is N-[2-[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[2-[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[2-[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide is CNCC1Cc2cc(F)c(CCNS(=O)(=O)CC3CC3)cc2C1Cc1ccccc1.
What is the InChIKey of N-[2-[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide?
The InChIKey is DAGFYBVGDRQSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O2S/c1-26-15-21-12-20-14-24(25)19(9-10-27-30(28,29)16-18-7-8-18)13-23(20)22(21)11-17-5-3-2-4-6-17/h2-6,13-14,18,21-22,26-27H,7-12,15-16H2,1H3.
What are the key properties of N-[2-[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide?
N-[2-[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide 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 N-[2-[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 56656171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).