2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide

C21H26N2O6S2 — CID 21005844

IUPAC2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
SMILESCCOc1ccc(N2C(=O)C(C)CS2(=O)=O)cc1S(=O)(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C21H26N2O6S2/c1-6-29-18-8-7-17(23-21(24)16(5)12-30(23,25)26)11-19(18)31(27,28)22-20-14(3)9-13(2)10-15(20)4/h7-11,16,22H,6,12H2,1-5H3
InChIKeyCUEFYEDONCMOBW-UHFFFAOYSA-N
MW466.58 g/mol
LogP3.12
Rot. Bonds6

About 2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide

2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide (PubChem CID 21005844) has the molecular formula C21H26N2O6S2 and a molecular weight of 466.58 g/mol. Its IUPAC name is 2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
PubChem CID21005844
Molecular FormulaC21H26N2O6S2
Molecular Weight466.58 g/mol
Exact Mass466.12
IUPAC Name2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
SMILESCCOc1ccc(N2C(=O)C(C)CS2(=O)=O)cc1S(=O)(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C21H26N2O6S2/c1-6-29-18-8-7-17(23-21(24)16(5)12-30(23,25)26)11-19(18)31(27,28)22-20-14(3)9-13(2)10-15(20)4/h7-11,16,22H,6,12H2,1-5H3
InChIKeyCUEFYEDONCMOBW-UHFFFAOYSA-N
XLogP3.12
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The IUPAC name of 2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide (CID 21005844) is 2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The canonical SMILES for 2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide is CCOc1ccc(N2C(=O)C(C)CS2(=O)=O)cc1S(=O)(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The InChIKey is CUEFYEDONCMOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S2/c1-6-29-18-8-7-17(23-21(24)16(5)12-30(23,25)26)11-19(18)31(27,28)22-20-14(3)9-13(2)10-15(20)4/h7-11,16,22H,6,12H2,1-5H3.
What are the key properties of 2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide has a molecular weight of 466.58 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 21005844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).