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

C21H26N2O4S — CID 100783240

IUPAC(5R)-2-(2,6-dimethylphenyl)-N-(4-methoxy-2-methylphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide
SMILESCOc1ccc(NC(=O)[C@@]2(C)CCN(c3c(C)cccc3C)S2(=O)=O)c(C)c1
InChIInChI=1S/C21H26N2O4S/c1-14-7-6-8-15(2)19(14)23-12-11-21(4,28(23,25)26)20(24)22-18-10-9-17(27-5)13-16(18)3/h6-10,13H,11-12H2,1-5H3,(H,22,24)/t21-/m1/s1
InChIKeyNERQIVZYJWZVDU-OAQYLSRUSA-N
MW402.52 g/mol
LogP3.56
Rot. Bonds4

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

(5R)-2-(2,6-dimethylphenyl)-N-(4-methoxy-2-methylphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide (PubChem CID 100783240) 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-methoxy-2-methylphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-2-(2,6-dimethylphenyl)-N-(4-methoxy-2-methylphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide
PubChem CID100783240
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name(5R)-2-(2,6-dimethylphenyl)-N-(4-methoxy-2-methylphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide
SMILESCOc1ccc(NC(=O)[C@@]2(C)CCN(c3c(C)cccc3C)S2(=O)=O)c(C)c1
InChIInChI=1S/C21H26N2O4S/c1-14-7-6-8-15(2)19(14)23-12-11-21(4,28(23,25)26)20(24)22-18-10-9-17(27-5)13-16(18)3/h6-10,13H,11-12H2,1-5H3,(H,22,24)/t21-/m1/s1
InChIKeyNERQIVZYJWZVDU-OAQYLSRUSA-N
XLogP3.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-N-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide
CID 100783644
2-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide
CID 133230238
(6S)-2-benzyl-N-(4-methoxy-2-methylphenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide
CID 100783965
(6R)-2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
CID 125063180
(5S)-N-(4-methoxyphenyl)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carboxamide
CID 100783459
1-(aminomethyl)-N-(4-methoxy-2-methylphenyl)cyclohexane-1-carboxamide
CID 62870974
(1R,5R)-N-(4-methoxy-2-methylphenyl)-3-(4-methylphenyl)-2,2-dioxo-2λ6-thia-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 100782487
4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride
CID 120922268
1-(2,3-dimethylphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 46860194
(1R,5R)-3-benzyl-N-(4-methoxy-2-methylphenyl)-2,2-dioxo-2λ6-thia-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 100783392
(1S,5S)-3-benzyl-N-(4-methoxy-2-methylphenyl)-2,2-dioxo-2λ6-thia-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 125063523
4-methoxy-N-(4-methoxy-2-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119709494

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(2,6-dimethylphenyl)-N-(4-methoxy-2-methylphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide?
The IUPAC name of (5R)-2-(2,6-dimethylphenyl)-N-(4-methoxy-2-methylphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide (CID 100783240) is (5R)-2-(2,6-dimethylphenyl)-N-(4-methoxy-2-methylphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide.
What is the SMILES notation for (5R)-2-(2,6-dimethylphenyl)-N-(4-methoxy-2-methylphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide?
The canonical SMILES for (5R)-2-(2,6-dimethylphenyl)-N-(4-methoxy-2-methylphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide is COc1ccc(NC(=O)[C@@]2(C)CCN(c3c(C)cccc3C)S2(=O)=O)c(C)c1.
What is the InChIKey of (5R)-2-(2,6-dimethylphenyl)-N-(4-methoxy-2-methylphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide?
The InChIKey is NERQIVZYJWZVDU-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-14-7-6-8-15(2)19(14)23-12-11-21(4,28(23,25)26)20(24)22-18-10-9-17(27-5)13-16(18)3/h6-10,13H,11-12H2,1-5H3,(H,22,24)/t21-/m1/s1.
What are the key properties of (5R)-2-(2,6-dimethylphenyl)-N-(4-methoxy-2-methylphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide?
(5R)-2-(2,6-dimethylphenyl)-N-(4-methoxy-2-methylphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 3.56, 4 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-methoxy-2-methylphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide is sourced from PubChem (CID 100783240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).