2-[2-(azetidin-1-ylmethyl)-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]-1-cyclopropylethanesulfonamide

C25H31FN2O2S — CID 123606345

IUPAC2-[2-(azetidin-1-ylmethyl)-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]-1-cyclopropylethanesulfonamide
SMILESNS(=O)(=O)C(Cc1ccc2c(c1)C(Cc1cccc(F)c1)C(CN1CCC1)C2)C1CC1
InChIInChI=1S/C25H31FN2O2S/c26-22-4-1-3-17(11-22)12-24-21(16-28-9-2-10-28)15-20-6-5-18(13-23(20)24)14-25(19-7-8-19)31(27,29)30/h1,3-6,11,13,19,21,24-25H,2,7-10,12,14-16H2,(H2,27,29,30)
InChIKeyFDCAZHSMBZHTMA-UHFFFAOYSA-N
MW442.60 g/mol
LogP3.64
Rot. Bonds8

About 2-[2-(azetidin-1-ylmethyl)-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]-1-cyclopropylethanesulfonamide

2-[2-(azetidin-1-ylmethyl)-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]-1-cyclopropylethanesulfonamide (PubChem CID 123606345) has the molecular formula C25H31FN2O2S and a molecular weight of 442.60 g/mol. Its IUPAC name is 2-[2-(azetidin-1-ylmethyl)-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]-1-cyclopropylethanesulfonamide.

Molecular Properties

Compound Name2-[2-(azetidin-1-ylmethyl)-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]-1-cyclopropylethanesulfonamide
PubChem CID123606345
Molecular FormulaC25H31FN2O2S
Molecular Weight442.60 g/mol
Exact Mass442.21
IUPAC Name2-[2-(azetidin-1-ylmethyl)-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]-1-cyclopropylethanesulfonamide
SMILESNS(=O)(=O)C(Cc1ccc2c(c1)C(Cc1cccc(F)c1)C(CN1CCC1)C2)C1CC1
InChIInChI=1S/C25H31FN2O2S/c26-22-4-1-3-17(11-22)12-24-21(16-28-9-2-10-28)15-20-6-5-18(13-23(20)24)14-25(19-7-8-19)31(27,29)30/h1,3-6,11,13,19,21,24-25H,2,7-10,12,14-16H2,(H2,27,29,30)
InChIKeyFDCAZHSMBZHTMA-UHFFFAOYSA-N
XLogP3.64
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(azetidin-1-ylmethyl)-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]-1-cyclopropylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(azetidin-1-ylmethyl)-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]oxy]-1-cyclopropylpropane-1-sulfonamide
CID 123377805
3-[[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]oxy]-1-cyclopropylpropane-1-sulfonamide
CID 123927359
N-[2-[2-(azetidin-1-ylmethyl)-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-methylimidazole-4-sulfonamide
CID 56656544
N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]cyclobutanesulfonamide
CID 56655490
N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide;hydrochloride
CID 57467298
N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-methylpyrazole-4-sulfonamide
CID 56655557
3-[2-(azetidin-1-yl)-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]-1-(cyclopropylmethylsulfonyl)azetidine
CID 66741423
N-[2-[[2-(azetidin-1-ylmethyl)-3-benzyl-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]cyclobutanesulfonamide
CID 56656240
N-[[2-(azetidin-1-ylmethyl)-3-benzyl-2,3-dihydro-1H-inden-5-yl]methyl]-1-methylpyrazole-4-sulfonamide
CID 66745294
N-[[2-(azetidin-1-ylmethyl)-6-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]-1-cyclopropylmethanesulfonamide
CID 66744560
N-[2-[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]-1-methylpyrazole-4-sulfonamide
CID 56656431
(2S,3S)-2-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 175660491

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azetidin-1-ylmethyl)-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]-1-cyclopropylethanesulfonamide?
The IUPAC name of 2-[2-(azetidin-1-ylmethyl)-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]-1-cyclopropylethanesulfonamide (CID 123606345) is 2-[2-(azetidin-1-ylmethyl)-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]-1-cyclopropylethanesulfonamide.
What is the SMILES notation for 2-[2-(azetidin-1-ylmethyl)-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]-1-cyclopropylethanesulfonamide?
The canonical SMILES for 2-[2-(azetidin-1-ylmethyl)-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]-1-cyclopropylethanesulfonamide is NS(=O)(=O)C(Cc1ccc2c(c1)C(Cc1cccc(F)c1)C(CN1CCC1)C2)C1CC1.
What is the InChIKey of 2-[2-(azetidin-1-ylmethyl)-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]-1-cyclopropylethanesulfonamide?
The InChIKey is FDCAZHSMBZHTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O2S/c26-22-4-1-3-17(11-22)12-24-21(16-28-9-2-10-28)15-20-6-5-18(13-23(20)24)14-25(19-7-8-19)31(27,29)30/h1,3-6,11,13,19,21,24-25H,2,7-10,12,14-16H2,(H2,27,29,30).
What are the key properties of 2-[2-(azetidin-1-ylmethyl)-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]-1-cyclopropylethanesulfonamide?
2-[2-(azetidin-1-ylmethyl)-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]-1-cyclopropylethanesulfonamide has a molecular weight of 442.60 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azetidin-1-ylmethyl)-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]-1-cyclopropylethanesulfonamide is sourced from PubChem (CID 123606345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).