2-ethoxy-N-[(4-methylphenyl)methyl]-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

C20H24N2O6S2 — CID 21005780

IUPAC2-ethoxy-N-[(4-methylphenyl)methyl]-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCCOc1ccc(N2C(=O)C(C)CS2(=O)=O)cc1S(=O)(=O)NCc1ccc(C)cc1
InChIInChI=1S/C20H24N2O6S2/c1-4-28-18-10-9-17(22-20(23)15(3)13-29(22,24)25)11-19(18)30(26,27)21-12-16-7-5-14(2)6-8-16/h5-11,15,21H,4,12-13H2,1-3H3
InChIKeyAKIGYRLEOMOMPR-UHFFFAOYSA-N
MW452.55 g/mol
LogP2.18
Rot. Bonds7

About 2-ethoxy-N-[(4-methylphenyl)methyl]-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

2-ethoxy-N-[(4-methylphenyl)methyl]-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (PubChem CID 21005780) has the molecular formula C20H24N2O6S2 and a molecular weight of 452.55 g/mol. Its IUPAC name is 2-ethoxy-N-[(4-methylphenyl)methyl]-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-[(4-methylphenyl)methyl]-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
PubChem CID21005780
Molecular FormulaC20H24N2O6S2
Molecular Weight452.55 g/mol
Exact Mass452.11
IUPAC Name2-ethoxy-N-[(4-methylphenyl)methyl]-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCCOc1ccc(N2C(=O)C(C)CS2(=O)=O)cc1S(=O)(=O)NCc1ccc(C)cc1
InChIInChI=1S/C20H24N2O6S2/c1-4-28-18-10-9-17(22-20(23)15(3)13-29(22,24)25)11-19(18)30(26,27)21-12-16-7-5-14(2)6-8-16/h5-11,15,21H,4,12-13H2,1-3H3
InChIKeyAKIGYRLEOMOMPR-UHFFFAOYSA-N
XLogP2.18
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 21005844
N-[2-(4-chlorophenyl)ethyl]-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005803
N-butan-2-yl-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005759
N-(2,4-difluorophenyl)-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005889
N-(2-ethoxyphenyl)-2-methoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005488
N-[3-[[2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 21005877
N-benzyl-2-ethoxy-N-methyl-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005782
N-[2-(4-chlorophenyl)ethyl]-2-methoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005442
N-[2-(4-fluorophenyl)ethyl]-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005105
N-methoxy-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 110421080
2-methoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride
CID 16642586
N-(2-ethoxyphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694695

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(4-methylphenyl)methyl]-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The IUPAC name of 2-ethoxy-N-[(4-methylphenyl)methyl]-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (CID 21005780) is 2-ethoxy-N-[(4-methylphenyl)methyl]-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-ethoxy-N-[(4-methylphenyl)methyl]-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The canonical SMILES for 2-ethoxy-N-[(4-methylphenyl)methyl]-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is CCOc1ccc(N2C(=O)C(C)CS2(=O)=O)cc1S(=O)(=O)NCc1ccc(C)cc1.
What is the InChIKey of 2-ethoxy-N-[(4-methylphenyl)methyl]-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The InChIKey is AKIGYRLEOMOMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S2/c1-4-28-18-10-9-17(22-20(23)15(3)13-29(22,24)25)11-19(18)30(26,27)21-12-16-7-5-14(2)6-8-16/h5-11,15,21H,4,12-13H2,1-3H3.
What are the key properties of 2-ethoxy-N-[(4-methylphenyl)methyl]-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
2-ethoxy-N-[(4-methylphenyl)methyl]-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide has a molecular weight of 452.55 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(4-methylphenyl)methyl]-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 21005780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).