2'-methyl-10',10'-dioxo-N-(2-pyridin-3-ylethyl)spiro[cyclopentane-1,9'-thioxanthene]-3'-sulfonamide

C25H26N2O4S2 — CID 24961881

IUPAC2'-methyl-10',10'-dioxo-N-(2-pyridin-3-ylethyl)spiro[cyclopentane-1,9'-thioxanthene]-3'-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)NCCc1cccnc1)S(=O)(=O)c1ccccc1C21CCCC1
InChIInChI=1S/C25H26N2O4S2/c1-18-15-21-24(16-23(18)33(30,31)27-14-10-19-7-6-13-26-17-19)32(28,29)22-9-3-2-8-20(22)25(21)11-4-5-12-25/h2-3,6-9,13,15-17,27H,4-5,10-12,14H2,1H3
InChIKeyXHUOWJRONXPUDC-UHFFFAOYSA-N
MW482.63 g/mol
LogP3.92
Rot. Bonds5

About 2'-methyl-10',10'-dioxo-N-(2-pyridin-3-ylethyl)spiro[cyclopentane-1,9'-thioxanthene]-3'-sulfonamide

2'-methyl-10',10'-dioxo-N-(2-pyridin-3-ylethyl)spiro[cyclopentane-1,9'-thioxanthene]-3'-sulfonamide (PubChem CID 24961881) has the molecular formula C25H26N2O4S2 and a molecular weight of 482.63 g/mol. Its IUPAC name is 2'-methyl-10',10'-dioxo-N-(2-pyridin-3-ylethyl)spiro[cyclopentane-1,9'-thioxanthene]-3'-sulfonamide.

Molecular Properties

Compound Name2'-methyl-10',10'-dioxo-N-(2-pyridin-3-ylethyl)spiro[cyclopentane-1,9'-thioxanthene]-3'-sulfonamide
PubChem CID24961881
Molecular FormulaC25H26N2O4S2
Molecular Weight482.63 g/mol
Exact Mass482.13
IUPAC Name2'-methyl-10',10'-dioxo-N-(2-pyridin-3-ylethyl)spiro[cyclopentane-1,9'-thioxanthene]-3'-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)NCCc1cccnc1)S(=O)(=O)c1ccccc1C21CCCC1
InChIInChI=1S/C25H26N2O4S2/c1-18-15-21-24(16-23(18)33(30,31)27-14-10-19-7-6-13-26-17-19)32(28,29)22-9-3-2-8-20(22)25(21)11-4-5-12-25/h2-3,6-9,13,15-17,27H,4-5,10-12,14H2,1H3
InChIKeyXHUOWJRONXPUDC-UHFFFAOYSA-N
XLogP3.92
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2'-methyl-10',10'-dioxo-N-(2-pyridin-3-ylethyl)spiro[cyclopentane-1,9'-thioxanthene]-3'-sulfonamide 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

2'-methyl-10',10'-dioxo-N-(2-pyridin-4-ylethyl)spiro[cyclohexane-1,9'-thioxanthene]-3'-sulfonamide
CID 24962961
2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 80712268
methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate
CID 37265699
2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3838924
3-chloro-9-fluoro-11,11-dioxo-N-(2-pyridin-3-ylethyl)-5,6-dihydrobenzo[b][1]benzothiepine-2-sulfonamide
CID 69166380
2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 81241998
2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 37265711
5-methyl-4-(2-pyridin-3-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62804149
3-[2-(sulfamoylamino)ethyl]pyridine
CID 112684347
2,5-dimethyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide
CID 110345197
4-cyclopentyloxy-2-methyl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 110616043
3-methyl-4-propan-2-yl-N-(2-pyridin-3-ylethyl)-5,6-dihydrobenzo[b][1]benzothiepine-2-sulfonamide
CID 90734306

Frequently Asked Questions

What is the IUPAC name of 2'-methyl-10',10'-dioxo-N-(2-pyridin-3-ylethyl)spiro[cyclopentane-1,9'-thioxanthene]-3'-sulfonamide?
The IUPAC name of 2'-methyl-10',10'-dioxo-N-(2-pyridin-3-ylethyl)spiro[cyclopentane-1,9'-thioxanthene]-3'-sulfonamide (CID 24961881) is 2'-methyl-10',10'-dioxo-N-(2-pyridin-3-ylethyl)spiro[cyclopentane-1,9'-thioxanthene]-3'-sulfonamide.
What is the SMILES notation for 2'-methyl-10',10'-dioxo-N-(2-pyridin-3-ylethyl)spiro[cyclopentane-1,9'-thioxanthene]-3'-sulfonamide?
The canonical SMILES for 2'-methyl-10',10'-dioxo-N-(2-pyridin-3-ylethyl)spiro[cyclopentane-1,9'-thioxanthene]-3'-sulfonamide is Cc1cc2c(cc1S(=O)(=O)NCCc1cccnc1)S(=O)(=O)c1ccccc1C21CCCC1.
What is the InChIKey of 2'-methyl-10',10'-dioxo-N-(2-pyridin-3-ylethyl)spiro[cyclopentane-1,9'-thioxanthene]-3'-sulfonamide?
The InChIKey is XHUOWJRONXPUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S2/c1-18-15-21-24(16-23(18)33(30,31)27-14-10-19-7-6-13-26-17-19)32(28,29)22-9-3-2-8-20(22)25(21)11-4-5-12-25/h2-3,6-9,13,15-17,27H,4-5,10-12,14H2,1H3.
What are the key properties of 2'-methyl-10',10'-dioxo-N-(2-pyridin-3-ylethyl)spiro[cyclopentane-1,9'-thioxanthene]-3'-sulfonamide?
2'-methyl-10',10'-dioxo-N-(2-pyridin-3-ylethyl)spiro[cyclopentane-1,9'-thioxanthene]-3'-sulfonamide has a molecular weight of 482.63 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methyl-10',10'-dioxo-N-(2-pyridin-3-ylethyl)spiro[cyclopentane-1,9'-thioxanthene]-3'-sulfonamide is sourced from PubChem (CID 24961881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).