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

C27H32F4N2O2S — CID 56656103

IUPACN-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide
SMILESO=S(=O)(CC1CC1)NCCc1cc2c(cc1F)CC(CN1CCC1)C2Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H32F4N2O2S/c28-26-15-21-13-22(16-33-9-2-10-33)24(12-19-3-1-4-23(11-19)27(29,30)31)25(21)14-20(26)7-8-32-36(34,35)17-18-5-6-18/h1,3-4,11,14-15,18,22,24,32H,2,5-10,12-13,16-17H2
InChIKeyXPPKITWRLSQDPN-UHFFFAOYSA-N
MW524.62 g/mol
LogP4.92
Rot. Bonds10

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

N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide (PubChem CID 56656103) has the molecular formula C27H32F4N2O2S and a molecular weight of 524.62 g/mol. Its IUPAC name is N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide
PubChem CID56656103
Molecular FormulaC27H32F4N2O2S
Molecular Weight524.62 g/mol
Exact Mass524.21
IUPAC NameN-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide
SMILESO=S(=O)(CC1CC1)NCCc1cc2c(cc1F)CC(CN1CCC1)C2Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H32F4N2O2S/c28-26-15-21-13-22(16-33-9-2-10-33)24(12-19-3-1-4-23(11-19)27(29,30)31)25(21)14-20(26)7-8-32-36(34,35)17-18-5-6-18/h1,3-4,11,14-15,18,22,24,32H,2,5-10,12-13,16-17H2
InChIKeyXPPKITWRLSQDPN-UHFFFAOYSA-N
XLogP4.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.62
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[[3-(trifluoromethyl)phenyl]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-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide (CID 56656103) is N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[[3-(trifluoromethyl)phenyl]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-(trifluoromethyl)phenyl]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-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide is O=S(=O)(CC1CC1)NCCc1cc2c(cc1F)CC(CN1CCC1)C2Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide?
The InChIKey is XPPKITWRLSQDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F4N2O2S/c28-26-15-21-13-22(16-33-9-2-10-33)24(12-19-3-1-4-23(11-19)27(29,30)31)25(21)14-20(26)7-8-32-36(34,35)17-18-5-6-18/h1,3-4,11,14-15,18,22,24,32H,2,5-10,12-13,16-17H2.
What are the key properties of N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide?
N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide has a molecular weight of 524.62 g/mol, XLogP of 4.92, 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-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 56656103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).