ethyl 2-[4-[[(6S)-2,6-dimethyl-1,1-dioxothiazinane-6-carbonyl]amino]phenoxy]acetate

C17H24N2O6S — CID 100783994

IUPACethyl 2-[4-[[(6S)-2,6-dimethyl-1,1-dioxothiazinane-6-carbonyl]amino]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(NC(=O)[C@]2(C)CCCN(C)S2(=O)=O)cc1
InChIInChI=1S/C17H24N2O6S/c1-4-24-15(20)12-25-14-8-6-13(7-9-14)18-16(21)17(2)10-5-11-19(3)26(17,22)23/h6-9H,4-5,10-12H2,1-3H3,(H,18,21)/t17-/m0/s1
InChIKeyRQLOYWLEMUGHJR-KRWDZBQOSA-N
MW384.45 g/mol
LogP1.38
Rot. Bonds6

About ethyl 2-[4-[[(6S)-2,6-dimethyl-1,1-dioxothiazinane-6-carbonyl]amino]phenoxy]acetate

ethyl 2-[4-[[(6S)-2,6-dimethyl-1,1-dioxothiazinane-6-carbonyl]amino]phenoxy]acetate (PubChem CID 100783994) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is ethyl 2-[4-[[(6S)-2,6-dimethyl-1,1-dioxothiazinane-6-carbonyl]amino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[(6S)-2,6-dimethyl-1,1-dioxothiazinane-6-carbonyl]amino]phenoxy]acetate
PubChem CID100783994
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Nameethyl 2-[4-[[(6S)-2,6-dimethyl-1,1-dioxothiazinane-6-carbonyl]amino]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(NC(=O)[C@]2(C)CCCN(C)S2(=O)=O)cc1
InChIInChI=1S/C17H24N2O6S/c1-4-24-15(20)12-25-14-8-6-13(7-9-14)18-16(21)17(2)10-5-11-19(3)26(17,22)23/h6-9H,4-5,10-12H2,1-3H3,(H,18,21)/t17-/m0/s1
InChIKeyRQLOYWLEMUGHJR-KRWDZBQOSA-N
XLogP1.38
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[4-[[(6S)-2,6-dimethyl-1,1-dioxothiazinane-6-carbonyl]amino]phenoxy]acetate with MolForge

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Related Compounds

N-(4-ethoxyphenyl)-2,6-dimethyl-1,1-dioxothiazinane-6-carboxamide
CID 133230277
ethyl 2-[4-[[(5S)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carbonyl]amino]phenoxy]acetate
CID 100783577
2,6-dimethyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
CID 133230278
(5R)-2-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide
CID 100783185
methyl 2-[4-[(1-aminocyclopentanecarbonyl)amino]phenoxy]acetate;hydrochloride
CID 119283545
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
ethyl 2-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)phenoxy]acetate
CID 69222609
2-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide
CID 133230238
ethyl 2-[4-(dimethylcarbamoylamino)phenoxy]acetate
CID 23823192
ethyl 2-[4-[[2-(2-fluorophenyl)-5-methyl-1,3-dioxane-5-carbonyl]amino]phenoxy]acetate
CID 100779783
ethyl 2-[4-(ethylamino)phenoxy]acetate
CID 69220443

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[(6S)-2,6-dimethyl-1,1-dioxothiazinane-6-carbonyl]amino]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[[(6S)-2,6-dimethyl-1,1-dioxothiazinane-6-carbonyl]amino]phenoxy]acetate (CID 100783994) is ethyl 2-[4-[[(6S)-2,6-dimethyl-1,1-dioxothiazinane-6-carbonyl]amino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[[(6S)-2,6-dimethyl-1,1-dioxothiazinane-6-carbonyl]amino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[[(6S)-2,6-dimethyl-1,1-dioxothiazinane-6-carbonyl]amino]phenoxy]acetate is CCOC(=O)COc1ccc(NC(=O)[C@]2(C)CCCN(C)S2(=O)=O)cc1.
What is the InChIKey of ethyl 2-[4-[[(6S)-2,6-dimethyl-1,1-dioxothiazinane-6-carbonyl]amino]phenoxy]acetate?
The InChIKey is RQLOYWLEMUGHJR-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-4-24-15(20)12-25-14-8-6-13(7-9-14)18-16(21)17(2)10-5-11-19(3)26(17,22)23/h6-9H,4-5,10-12H2,1-3H3,(H,18,21)/t17-/m0/s1.
What are the key properties of ethyl 2-[4-[[(6S)-2,6-dimethyl-1,1-dioxothiazinane-6-carbonyl]amino]phenoxy]acetate?
ethyl 2-[4-[[(6S)-2,6-dimethyl-1,1-dioxothiazinane-6-carbonyl]amino]phenoxy]acetate has a molecular weight of 384.45 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[(6S)-2,6-dimethyl-1,1-dioxothiazinane-6-carbonyl]amino]phenoxy]acetate is sourced from PubChem (CID 100783994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).