N-methyl-4-[[[2-[5-[2-methyl-5-(trifluoromethyl)phenoxy]spiro[2H-indole-3,1'-cyclopentane]-1-yl]-2-oxoethyl]amino]methyl]benzenesulfonamide

C30H32F3N3O4S — CID 130368647

IUPACN-methyl-4-[[[2-[5-[2-methyl-5-(trifluoromethyl)phenoxy]spiro[2H-indole-3,1'-cyclopentane]-1-yl]-2-oxoethyl]amino]methyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CNCC(=O)N2CC3(CCCC3)c3cc(Oc4cc(C(F)(F)F)ccc4C)ccc32)cc1
InChIInChI=1S/C30H32F3N3O4S/c1-20-5-8-22(30(31,32)33)15-27(20)40-23-9-12-26-25(16-23)29(13-3-4-14-29)19-36(26)28(37)18-35-17-21-6-10-24(11-7-21)41(38,39)34-2/h5-12,15-16,34-35H,3-4,13-14,17-19H2,1-2H3
InChIKeyCOSXPTYUJZVHMM-UHFFFAOYSA-N
MW587.66 g/mol
LogP5.66
Rot. Bonds8

About N-methyl-4-[[[2-[5-[2-methyl-5-(trifluoromethyl)phenoxy]spiro[2H-indole-3,1'-cyclopentane]-1-yl]-2-oxoethyl]amino]methyl]benzenesulfonamide

N-methyl-4-[[[2-[5-[2-methyl-5-(trifluoromethyl)phenoxy]spiro[2H-indole-3,1'-cyclopentane]-1-yl]-2-oxoethyl]amino]methyl]benzenesulfonamide (PubChem CID 130368647) has the molecular formula C30H32F3N3O4S and a molecular weight of 587.66 g/mol. Its IUPAC name is N-methyl-4-[[[2-[5-[2-methyl-5-(trifluoromethyl)phenoxy]spiro[2H-indole-3,1'-cyclopentane]-1-yl]-2-oxoethyl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[[[2-[5-[2-methyl-5-(trifluoromethyl)phenoxy]spiro[2H-indole-3,1'-cyclopentane]-1-yl]-2-oxoethyl]amino]methyl]benzenesulfonamide
PubChem CID130368647
Molecular FormulaC30H32F3N3O4S
Molecular Weight587.66 g/mol
Exact Mass587.21
IUPAC NameN-methyl-4-[[[2-[5-[2-methyl-5-(trifluoromethyl)phenoxy]spiro[2H-indole-3,1'-cyclopentane]-1-yl]-2-oxoethyl]amino]methyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CNCC(=O)N2CC3(CCCC3)c3cc(Oc4cc(C(F)(F)F)ccc4C)ccc32)cc1
InChIInChI=1S/C30H32F3N3O4S/c1-20-5-8-22(30(31,32)33)15-27(20)40-23-9-12-26-25(16-23)29(13-3-4-14-29)19-36(26)28(37)18-35-17-21-6-10-24(11-7-21)41(38,39)34-2/h5-12,15-16,34-35H,3-4,13-14,17-19H2,1-2H3
InChIKeyCOSXPTYUJZVHMM-UHFFFAOYSA-N
XLogP5.66
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.66
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-4-[[[2-[5-[2-methyl-5-(trifluoromethyl)phenoxy]spiro[2H-indole-3,1'-cyclopentane]-1-yl]-2-oxoethyl]amino]methyl]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[[2-[5-[2-methyl-5-(trifluoromethyl)phenoxy]spiro[2H-indole-3,1'-cyclopentane]-1-yl]-2-oxoethyl]amino]methyl]benzenesulfonamide?
The IUPAC name of N-methyl-4-[[[2-[5-[2-methyl-5-(trifluoromethyl)phenoxy]spiro[2H-indole-3,1'-cyclopentane]-1-yl]-2-oxoethyl]amino]methyl]benzenesulfonamide (CID 130368647) is N-methyl-4-[[[2-[5-[2-methyl-5-(trifluoromethyl)phenoxy]spiro[2H-indole-3,1'-cyclopentane]-1-yl]-2-oxoethyl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[[[2-[5-[2-methyl-5-(trifluoromethyl)phenoxy]spiro[2H-indole-3,1'-cyclopentane]-1-yl]-2-oxoethyl]amino]methyl]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[[[2-[5-[2-methyl-5-(trifluoromethyl)phenoxy]spiro[2H-indole-3,1'-cyclopentane]-1-yl]-2-oxoethyl]amino]methyl]benzenesulfonamide is CNS(=O)(=O)c1ccc(CNCC(=O)N2CC3(CCCC3)c3cc(Oc4cc(C(F)(F)F)ccc4C)ccc32)cc1.
What is the InChIKey of N-methyl-4-[[[2-[5-[2-methyl-5-(trifluoromethyl)phenoxy]spiro[2H-indole-3,1'-cyclopentane]-1-yl]-2-oxoethyl]amino]methyl]benzenesulfonamide?
The InChIKey is COSXPTYUJZVHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N3O4S/c1-20-5-8-22(30(31,32)33)15-27(20)40-23-9-12-26-25(16-23)29(13-3-4-14-29)19-36(26)28(37)18-35-17-21-6-10-24(11-7-21)41(38,39)34-2/h5-12,15-16,34-35H,3-4,13-14,17-19H2,1-2H3.
What are the key properties of N-methyl-4-[[[2-[5-[2-methyl-5-(trifluoromethyl)phenoxy]spiro[2H-indole-3,1'-cyclopentane]-1-yl]-2-oxoethyl]amino]methyl]benzenesulfonamide?
N-methyl-4-[[[2-[5-[2-methyl-5-(trifluoromethyl)phenoxy]spiro[2H-indole-3,1'-cyclopentane]-1-yl]-2-oxoethyl]amino]methyl]benzenesulfonamide has a molecular weight of 587.66 g/mol, XLogP of 5.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[[2-[5-[2-methyl-5-(trifluoromethyl)phenoxy]spiro[2H-indole-3,1'-cyclopentane]-1-yl]-2-oxoethyl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 130368647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).