(5S)-N-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide

C20H24N2O5S — CID 100783644

IUPAC(5S)-N-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide
SMILESCOc1ccc(N2CC[C@@](C)(C(=O)Nc3ccc(OC)cc3C)S2(=O)=O)cc1
InChIInChI=1S/C20H24N2O5S/c1-14-13-17(27-4)9-10-18(14)21-19(23)20(2)11-12-22(28(20,24)25)15-5-7-16(26-3)8-6-15/h5-10,13H,11-12H2,1-4H3,(H,21,23)/t20-/m0/s1
InChIKeyZFCJNPFINIUUAP-FQEVSTJZSA-N
MW404.49 g/mol
LogP2.95
Rot. Bonds5

About (5S)-N-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide

(5S)-N-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide (PubChem CID 100783644) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is (5S)-N-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide
PubChem CID100783644
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name(5S)-N-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide
SMILESCOc1ccc(N2CC[C@@](C)(C(=O)Nc3ccc(OC)cc3C)S2(=O)=O)cc1
InChIInChI=1S/C20H24N2O5S/c1-14-13-17(27-4)9-10-18(14)21-19(23)20(2)11-12-22(28(20,24)25)15-5-7-16(26-3)8-6-15/h5-10,13H,11-12H2,1-4H3,(H,21,23)/t20-/m0/s1
InChIKeyZFCJNPFINIUUAP-FQEVSTJZSA-N
XLogP2.95
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-2-(2,6-dimethylphenyl)-N-(4-methoxy-2-methylphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide
CID 100783240
(5S)-N-(4-methoxyphenyl)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carboxamide
CID 100783459
(5R)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazolidine-5-carboxamide
CID 125064057
(6S)-2-benzyl-N-(4-methoxy-2-methylphenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide
CID 100783965
(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
(6S)-2-(4-methoxyphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
CID 100783860
(5S)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide
CID 100783132
2-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide
CID 133230238
1-(aminomethyl)-N-(4-methoxy-2-methylphenyl)cyclohexane-1-carboxamide
CID 62870974
4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride
CID 120922268
3-ethyl-N-(4-methoxy-2-methylphenyl)piperidine-3-carboxamide
CID 63132813
ethyl 2-[4-[[(5S)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carbonyl]amino]phenoxy]acetate
CID 100783577

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide?
The IUPAC name of (5S)-N-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide (CID 100783644) is (5S)-N-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide.
What is the SMILES notation for (5S)-N-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide?
The canonical SMILES for (5S)-N-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide is COc1ccc(N2CC[C@@](C)(C(=O)Nc3ccc(OC)cc3C)S2(=O)=O)cc1.
What is the InChIKey of (5S)-N-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide?
The InChIKey is ZFCJNPFINIUUAP-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-14-13-17(27-4)9-10-18(14)21-19(23)20(2)11-12-22(28(20,24)25)15-5-7-16(26-3)8-6-15/h5-10,13H,11-12H2,1-4H3,(H,21,23)/t20-/m0/s1.
What are the key properties of (5S)-N-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide?
(5S)-N-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide is sourced from PubChem (CID 100783644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).