N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C20H20N2O4S2 — CID 121121901

IUPACN-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCc1ccccc1-c1nc(C)c(CNS(=O)(=O)c2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C20H20N2O4S2/c1-13-5-3-4-6-16(13)20-22-14(2)19(27-20)12-21-28(23,24)15-7-8-17-18(11-15)26-10-9-25-17/h3-8,11,21H,9-10,12H2,1-2H3
InChIKeyOXRFGVFQRYTSHQ-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.68
Rot. Bonds5

About N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 121121901) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID121121901
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC NameN-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCc1ccccc1-c1nc(C)c(CNS(=O)(=O)c2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C20H20N2O4S2/c1-13-5-3-4-6-16(13)20-22-14(2)19(27-20)12-21-28(23,24)15-7-8-17-18(11-15)26-10-9-25-17/h3-8,11,21H,9-10,12H2,1-2H3
InChIKeyOXRFGVFQRYTSHQ-UHFFFAOYSA-N
XLogP3.68
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-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

N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 121121798
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 121123947
3,4-difluoro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
CID 121121985
4-bromo-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
CID 121121916
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-4-propylbenzenesulfonamide
CID 121121976
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 121123355
4-butoxy-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
CID 121121906
2-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
CID 121121937
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]naphthalene-2-sulfonamide
CID 121123387
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 53163147
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 20965729
N-[4-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfamoyl]phenyl]butanamide
CID 71795509

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 121121901) is N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is Cc1ccccc1-c1nc(C)c(CNS(=O)(=O)c2ccc3c(c2)OCCO3)s1.
What is the InChIKey of N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is OXRFGVFQRYTSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c1-13-5-3-4-6-16(13)20-22-14(2)19(27-20)12-21-28(23,24)15-7-8-17-18(11-15)26-10-9-25-17/h3-8,11,21H,9-10,12H2,1-2H3.
What are the key properties of N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 416.52 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 121121901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).