(5R)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazolidine-5-carboxamide

C19H19F3N2O5S — CID 125064057

IUPAC(5R)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazolidine-5-carboxamide
SMILESCOc1ccc(N2CC[C@](C)(C(=O)Nc3ccc(OC(F)(F)F)cc3)S2(=O)=O)cc1
InChIInChI=1S/C19H19F3N2O5S/c1-18(17(25)23-13-3-7-16(8-4-13)29-19(20,21)22)11-12-24(30(18,26)27)14-5-9-15(28-2)10-6-14/h3-10H,11-12H2,1-2H3,(H,23,25)/t18-/m1/s1
InChIKeyUZFAUZGTGYCXFP-GOSISDBHSA-N
MW444.43 g/mol
LogP3.53
Rot. Bonds5

About (5R)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazolidine-5-carboxamide

(5R)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazolidine-5-carboxamide (PubChem CID 125064057) has the molecular formula C19H19F3N2O5S and a molecular weight of 444.43 g/mol. Its IUPAC name is (5R)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazolidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazolidine-5-carboxamide
PubChem CID125064057
Molecular FormulaC19H19F3N2O5S
Molecular Weight444.43 g/mol
Exact Mass444.10
IUPAC Name(5R)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazolidine-5-carboxamide
SMILESCOc1ccc(N2CC[C@](C)(C(=O)Nc3ccc(OC(F)(F)F)cc3)S2(=O)=O)cc1
InChIInChI=1S/C19H19F3N2O5S/c1-18(17(25)23-13-3-7-16(8-4-13)29-19(20,21)22)11-12-24(30(18,26)27)14-5-9-15(28-2)10-6-14/h3-10H,11-12H2,1-2H3,(H,23,25)/t18-/m1/s1
InChIKeyUZFAUZGTGYCXFP-GOSISDBHSA-N
XLogP3.53
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-N-(4-methoxyphenyl)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carboxamide
CID 100783459
(6S)-2-(4-methoxyphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
CID 100783860
(5S)-N-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide
CID 100783644
(5S)-5-methyl-1,1-dioxo-2-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-thiazolidine-5-carboxamide
CID 100783474
(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
ethyl 2-[4-[[(5S)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carbonyl]amino]phenoxy]acetate
CID 100783577
4-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 3867518
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 90503788
(1R,5R)-3-(4-chlorophenyl)-2,2-dioxo-N-[4-(trifluoromethoxy)phenyl]-2λ6-thia-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 100782164
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833
(6S)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide
CID 100783690

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazolidine-5-carboxamide?
The IUPAC name of (5R)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazolidine-5-carboxamide (CID 125064057) is (5R)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazolidine-5-carboxamide.
What is the SMILES notation for (5R)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazolidine-5-carboxamide?
The canonical SMILES for (5R)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazolidine-5-carboxamide is COc1ccc(N2CC[C@](C)(C(=O)Nc3ccc(OC(F)(F)F)cc3)S2(=O)=O)cc1.
What is the InChIKey of (5R)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazolidine-5-carboxamide?
The InChIKey is UZFAUZGTGYCXFP-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19F3N2O5S/c1-18(17(25)23-13-3-7-16(8-4-13)29-19(20,21)22)11-12-24(30(18,26)27)14-5-9-15(28-2)10-6-14/h3-10H,11-12H2,1-2H3,(H,23,25)/t18-/m1/s1.
What are the key properties of (5R)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazolidine-5-carboxamide?
(5R)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazolidine-5-carboxamide has a molecular weight of 444.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazolidine-5-carboxamide is sourced from PubChem (CID 125064057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).