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

C24H31FN2O2S — CID 56656237

IUPACN-[2-[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]cyclobutanesulfonamide
SMILESCNCC1Cc2cc(F)c(CCNS(=O)(=O)C3CCC3)cc2C1Cc1ccccc1
InChIInChI=1S/C24H31FN2O2S/c1-26-16-20-13-19-15-24(25)18(10-11-27-30(28,29)21-8-5-9-21)14-23(19)22(20)12-17-6-3-2-4-7-17/h2-4,6-7,14-15,20-22,26-27H,5,8-13,16H2,1H3
InChIKeyIVJHKIHAOAAISN-UHFFFAOYSA-N
MW430.59 g/mol
LogP3.56
Rot. Bonds9

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

N-[2-[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]cyclobutanesulfonamide (PubChem CID 56656237) 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]cyclobutanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]cyclobutanesulfonamide
PubChem CID56656237
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]cyclobutanesulfonamide
SMILESCNCC1Cc2cc(F)c(CCNS(=O)(=O)C3CCC3)cc2C1Cc1ccccc1
InChIInChI=1S/C24H31FN2O2S/c1-26-16-20-13-19-15-24(25)18(10-11-27-30(28,29)21-8-5-9-21)14-23(19)22(20)12-17-6-3-2-4-7-17/h2-4,6-7,14-15,20-22,26-27H,5,8-13,16H2,1H3
InChIKeyIVJHKIHAOAAISN-UHFFFAOYSA-N
XLogP3.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 53.56
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]cyclobutanesulfonamide?
The IUPAC name of N-[2-[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]cyclobutanesulfonamide (CID 56656237) is N-[2-[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]cyclobutanesulfonamide.
What is the SMILES notation for N-[2-[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]cyclobutanesulfonamide?
The canonical SMILES for N-[2-[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]cyclobutanesulfonamide is CNCC1Cc2cc(F)c(CCNS(=O)(=O)C3CCC3)cc2C1Cc1ccccc1.
What is the InChIKey of N-[2-[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]cyclobutanesulfonamide?
The InChIKey is IVJHKIHAOAAISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O2S/c1-26-16-20-13-19-15-24(25)18(10-11-27-30(28,29)21-8-5-9-21)14-23(19)22(20)12-17-6-3-2-4-7-17/h2-4,6-7,14-15,20-22,26-27H,5,8-13,16H2,1H3.
What are the key properties of N-[2-[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]cyclobutanesulfonamide?
N-[2-[3-benzyl-6-fluoro-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]cyclobutanesulfonamide has a molecular weight of 430.59 g/mol, XLogP of 3.56, 9 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]cyclobutanesulfonamide is sourced from PubChem (CID 56656237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).