2-(4-fluorophenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]ethanesulfonamide

C20H21FN2O3S2 — CID 121121979

IUPAC2-(4-fluorophenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]ethanesulfonamide
SMILESCc1ccccc1-c1nc(C)c(CNS(=O)(=O)CCOc2ccc(F)cc2)s1
InChIInChI=1S/C20H21FN2O3S2/c1-14-5-3-4-6-18(14)20-23-15(2)19(27-20)13-22-28(24,25)12-11-26-17-9-7-16(21)8-10-17/h3-10,22H,11-13H2,1-2H3
InChIKeyHHNNXZBZNHOYFI-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.06
Rot. Bonds8

About 2-(4-fluorophenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]ethanesulfonamide

2-(4-fluorophenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]ethanesulfonamide (PubChem CID 121121979) has the molecular formula C20H21FN2O3S2 and a molecular weight of 420.53 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]ethanesulfonamide
PubChem CID121121979
Molecular FormulaC20H21FN2O3S2
Molecular Weight420.53 g/mol
Exact Mass420.10
IUPAC Name2-(4-fluorophenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]ethanesulfonamide
SMILESCc1ccccc1-c1nc(C)c(CNS(=O)(=O)CCOc2ccc(F)cc2)s1
InChIInChI=1S/C20H21FN2O3S2/c1-14-5-3-4-6-18(14)20-23-15(2)19(27-20)13-22-28(24,25)12-11-26-17-9-7-16(21)8-10-17/h3-10,22H,11-13H2,1-2H3
InChIKeyHHNNXZBZNHOYFI-UHFFFAOYSA-N
XLogP4.06
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]ethanesulfonamide 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 2-(4-fluorophenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]ethanesulfonamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]ethanesulfonamide (CID 121121979) is 2-(4-fluorophenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]ethanesulfonamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]ethanesulfonamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]ethanesulfonamide is Cc1ccccc1-c1nc(C)c(CNS(=O)(=O)CCOc2ccc(F)cc2)s1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]ethanesulfonamide?
The InChIKey is HHNNXZBZNHOYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S2/c1-14-5-3-4-6-18(14)20-23-15(2)19(27-20)13-22-28(24,25)12-11-26-17-9-7-16(21)8-10-17/h3-10,22H,11-13H2,1-2H3.
What are the key properties of 2-(4-fluorophenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]ethanesulfonamide?
2-(4-fluorophenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]ethanesulfonamide has a molecular weight of 420.53 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 121121979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).