ethyl 2-[4-[[(5S)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carbonyl]amino]phenoxy]acetate

C21H24N2O6S — CID 100783577

IUPACethyl 2-[4-[[(5S)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carbonyl]amino]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(NC(=O)[C@]2(C)CCN(c3ccccc3)S2(=O)=O)cc1
InChIInChI=1S/C21H24N2O6S/c1-3-28-19(24)15-29-18-11-9-16(10-12-18)22-20(25)21(2)13-14-23(30(21,26)27)17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3,(H,22,25)/t21-/m0/s1
InChIKeyNVOOZKZZVZCLGE-NRFANRHFSA-N
MW432.50 g/mol
LogP2.57
Rot. Bonds7

About ethyl 2-[4-[[(5S)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carbonyl]amino]phenoxy]acetate

ethyl 2-[4-[[(5S)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carbonyl]amino]phenoxy]acetate (PubChem CID 100783577) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is ethyl 2-[4-[[(5S)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carbonyl]amino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[(5S)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carbonyl]amino]phenoxy]acetate
PubChem CID100783577
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC Nameethyl 2-[4-[[(5S)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carbonyl]amino]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(NC(=O)[C@]2(C)CCN(c3ccccc3)S2(=O)=O)cc1
InChIInChI=1S/C21H24N2O6S/c1-3-28-19(24)15-29-18-11-9-16(10-12-18)22-20(25)21(2)13-14-23(30(21,26)27)17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3,(H,22,25)/t21-/m0/s1
InChIKeyNVOOZKZZVZCLGE-NRFANRHFSA-N
XLogP2.57
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[4-[[(5S)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carbonyl]amino]phenoxy]acetate with MolForge

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Related Compounds

(5S)-N-(4-methoxyphenyl)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carboxamide
CID 100783459
ethyl 2-[4-[[(6S)-2,6-dimethyl-1,1-dioxothiazinane-6-carbonyl]amino]phenoxy]acetate
CID 100783994
(5S)-5-methyl-1,1-dioxo-2-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-thiazolidine-5-carboxamide
CID 100783474
(5R)-2-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide
CID 100783185
6-methyl-1,1-dioxo-2-phenyl-N-[4-(thietan-3-yloxy)phenyl]thiazinane-6-carboxamide
CID 133230237
ethyl 2-[4-[[(1R,5R)-3-(4-methoxyphenyl)-2,2-dioxo-2λ6-thia-3-azabicyclo[3.1.0]hexane-1-carbonyl]amino]phenoxy]acetate
CID 100782089
ethyl 2-[4-[[(1S,5R)-3-(4-chlorophenyl)-2,2-dioxo-2λ6-thia-3-azabicyclo[3.1.0]hexane-1-carbonyl]amino]phenoxy]acetate
CID 100782148
N-(4-ethoxyphenyl)-2,6-dimethyl-1,1-dioxothiazinane-6-carboxamide
CID 133230277
(1R,5R)-N-(4-ethoxyphenyl)-2,2-dioxo-3-phenyl-2λ6-thia-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 100782003
ethyl 2-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)phenoxy]acetate
CID 69222609
ethyl 2-[4-(2,2-diphenylpropanoylamino)phenoxy]acetate
CID 100781586
(6S)-2-(4-methoxyphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
CID 100783860

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[(5S)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carbonyl]amino]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[[(5S)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carbonyl]amino]phenoxy]acetate (CID 100783577) is ethyl 2-[4-[[(5S)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carbonyl]amino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[[(5S)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carbonyl]amino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[[(5S)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carbonyl]amino]phenoxy]acetate is CCOC(=O)COc1ccc(NC(=O)[C@]2(C)CCN(c3ccccc3)S2(=O)=O)cc1.
What is the InChIKey of ethyl 2-[4-[[(5S)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carbonyl]amino]phenoxy]acetate?
The InChIKey is NVOOZKZZVZCLGE-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24N2O6S/c1-3-28-19(24)15-29-18-11-9-16(10-12-18)22-20(25)21(2)13-14-23(30(21,26)27)17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3,(H,22,25)/t21-/m0/s1.
What are the key properties of ethyl 2-[4-[[(5S)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carbonyl]amino]phenoxy]acetate?
ethyl 2-[4-[[(5S)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carbonyl]amino]phenoxy]acetate has a molecular weight of 432.50 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[(5S)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carbonyl]amino]phenoxy]acetate is sourced from PubChem (CID 100783577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).