N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide

C26H32F2N2O2S — CID 56655489

IUPACN-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide
SMILESO=S(=O)(CC1CC1)NCCc1cc2c(cc1F)CC(CN1CCC1)C2Cc1cccc(F)c1
InChIInChI=1S/C26H32F2N2O2S/c27-23-4-1-3-19(11-23)12-24-22(16-30-9-2-10-30)13-21-15-26(28)20(14-25(21)24)7-8-29-33(31,32)17-18-5-6-18/h1,3-4,11,14-15,18,22,24,29H,2,5-10,12-13,16-17H2
InChIKeyOUSUCMGLJABWLC-UHFFFAOYSA-N
MW474.62 g/mol
LogP4.04
Rot. Bonds10

About N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide

N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide (PubChem CID 56655489) has the molecular formula C26H32F2N2O2S and a molecular weight of 474.62 g/mol. Its IUPAC name is N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide
PubChem CID56655489
Molecular FormulaC26H32F2N2O2S
Molecular Weight474.62 g/mol
Exact Mass474.22
IUPAC NameN-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide
SMILESO=S(=O)(CC1CC1)NCCc1cc2c(cc1F)CC(CN1CCC1)C2Cc1cccc(F)c1
InChIInChI=1S/C26H32F2N2O2S/c27-23-4-1-3-19(11-23)12-24-22(16-30-9-2-10-30)13-21-15-26(28)20(14-25(21)24)7-8-29-33(31,32)17-18-5-6-18/h1,3-4,11,14-15,18,22,24,29H,2,5-10,12-13,16-17H2
InChIKeyOUSUCMGLJABWLC-UHFFFAOYSA-N
XLogP4.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.62
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide (CID 56655489) is N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide is O=S(=O)(CC1CC1)NCCc1cc2c(cc1F)CC(CN1CCC1)C2Cc1cccc(F)c1.
What is the InChIKey of N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide?
The InChIKey is OUSUCMGLJABWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N2O2S/c27-23-4-1-3-19(11-23)12-24-22(16-30-9-2-10-30)13-21-15-26(28)20(14-25(21)24)7-8-29-33(31,32)17-18-5-6-18/h1,3-4,11,14-15,18,22,24,29H,2,5-10,12-13,16-17H2.
What are the key properties of N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide?
N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide has a molecular weight of 474.62 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 56655489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).