2-(2-ethoxyphenyl)-1,1-dioxo-1,2-thiazolidin-3-one

C11H13NO4S — CID 82088679

IUPAC2-(2-ethoxyphenyl)-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCCOc1ccccc1N1C(=O)CCS1(=O)=O
InChIInChI=1S/C11H13NO4S/c1-2-16-10-6-4-3-5-9(10)12-11(13)7-8-17(12,14)15/h3-6H,2,7-8H2,1H3
InChIKeyZOUWBUKRRCOAMH-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.15
Rot. Bonds3

About 2-(2-ethoxyphenyl)-1,1-dioxo-1,2-thiazolidin-3-one

2-(2-ethoxyphenyl)-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 82088679) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID82088679
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name2-(2-ethoxyphenyl)-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCCOc1ccccc1N1C(=O)CCS1(=O)=O
InChIInChI=1S/C11H13NO4S/c1-2-16-10-6-4-3-5-9(10)12-11(13)7-8-17(12,14)15/h3-6H,2,7-8H2,1H3
InChIKeyZOUWBUKRRCOAMH-UHFFFAOYSA-N
XLogP1.15
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694559
1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one
CID 129259594
N-tert-butyl-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005669
2-(2-ethoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 117003016
2-ethoxy-N-(4-fluorophenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005695
N-cyclopropyl-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005629
9-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62713932
2-ethoxy-N-(2-ethyl-6-methylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005687
1-(2-ethoxyphenyl)-2-methylpiperidin-4-one
CID 54975575
1-(2-ethoxyphenyl)-4-propan-2-ylpyrrolidin-2-one
CID 139322997
(3aR,7aR)-2-(2-ethoxyphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 821551
5-(deuteriomethyl)-1-(2-ethoxyphenyl)pyridin-2-one
CID 141240580

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-(2-ethoxyphenyl)-1,1-dioxo-1,2-thiazolidin-3-one (CID 82088679) is 2-(2-ethoxyphenyl)-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-(2-ethoxyphenyl)-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-(2-ethoxyphenyl)-1,1-dioxo-1,2-thiazolidin-3-one is CCOc1ccccc1N1C(=O)CCS1(=O)=O.
What is the InChIKey of 2-(2-ethoxyphenyl)-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is ZOUWBUKRRCOAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c1-2-16-10-6-4-3-5-9(10)12-11(13)7-8-17(12,14)15/h3-6H,2,7-8H2,1H3.
What are the key properties of 2-(2-ethoxyphenyl)-1,1-dioxo-1,2-thiazolidin-3-one?
2-(2-ethoxyphenyl)-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 255.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 82088679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).