(5R)-2-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide

C21H26N2O4S — CID 100783185

IUPAC(5R)-2-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@]2(C)CCN(c3c(C)cccc3C)S2(=O)=O)cc1
InChIInChI=1S/C21H26N2O4S/c1-5-27-18-11-9-17(10-12-18)22-20(24)21(4)13-14-23(28(21,25)26)19-15(2)7-6-8-16(19)3/h6-12H,5,13-14H2,1-4H3,(H,22,24)/t21-/m1/s1
InChIKeyZOSBTVDLXJUQCX-OAQYLSRUSA-N
MW402.52 g/mol
LogP3.64
Rot. Bonds5

About (5R)-2-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide

(5R)-2-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide (PubChem CID 100783185) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is (5R)-2-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-2-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide
PubChem CID100783185
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name(5R)-2-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@]2(C)CCN(c3c(C)cccc3C)S2(=O)=O)cc1
InChIInChI=1S/C21H26N2O4S/c1-5-27-18-11-9-17(10-12-18)22-20(24)21(4)13-14-23(28(21,25)26)19-15(2)7-6-8-16(19)3/h6-12H,5,13-14H2,1-4H3,(H,22,24)/t21-/m1/s1
InChIKeyZOSBTVDLXJUQCX-OAQYLSRUSA-N
XLogP3.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide
CID 133230238
2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
CID 133230240
(6R)-2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
CID 125063180
ethyl 2-[4-[[(5S)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carbonyl]amino]phenoxy]acetate
CID 100783577
(5R)-2-(2,6-dimethylphenyl)-N-(4-methoxy-2-methylphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide
CID 100783240
N-(4-ethoxyphenyl)-2,6-dimethyl-1,1-dioxothiazinane-6-carboxamide
CID 133230277
(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
1-N-(4-ethoxyphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980780
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 9435760
N-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670703
(1R,5R)-N-(4-ethoxyphenyl)-2,2-dioxo-3-phenyl-2λ6-thia-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 100782003

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide?
The IUPAC name of (5R)-2-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide (CID 100783185) is (5R)-2-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide.
What is the SMILES notation for (5R)-2-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide?
The canonical SMILES for (5R)-2-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide is CCOc1ccc(NC(=O)[C@@]2(C)CCN(c3c(C)cccc3C)S2(=O)=O)cc1.
What is the InChIKey of (5R)-2-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide?
The InChIKey is ZOSBTVDLXJUQCX-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-5-27-18-11-9-17(10-12-18)22-20(24)21(4)13-14-23(28(21,25)26)19-15(2)7-6-8-16(19)3/h6-12H,5,13-14H2,1-4H3,(H,22,24)/t21-/m1/s1.
What are the key properties of (5R)-2-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide?
(5R)-2-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide is sourced from PubChem (CID 100783185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).