N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-2-methyl-1,1-dioxothiazetidine-3-carboxamide

C18H17F3N2O5S — CID 166074183

IUPACN-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-2-methyl-1,1-dioxothiazetidine-3-carboxamide
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1NC(=O)C1CS(=O)(=O)N1C
InChIInChI=1S/C18H17F3N2O5S/c1-23-15(10-29(23,25)26)17(24)22-14-9-13(7-8-16(14)27-2)28-12-5-3-11(4-6-12)18(19,20)21/h3-9,15H,10H2,1-2H3,(H,22,24)
InChIKeyFNJGKCODLHIAHP-UHFFFAOYSA-N
MW430.40 g/mol
LogP3.09
Rot. Bonds5

About N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-2-methyl-1,1-dioxothiazetidine-3-carboxamide

N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-2-methyl-1,1-dioxothiazetidine-3-carboxamide (PubChem CID 166074183) has the molecular formula C18H17F3N2O5S and a molecular weight of 430.40 g/mol. Its IUPAC name is N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-2-methyl-1,1-dioxothiazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-2-methyl-1,1-dioxothiazetidine-3-carboxamide
PubChem CID166074183
Molecular FormulaC18H17F3N2O5S
Molecular Weight430.40 g/mol
Exact Mass430.08
IUPAC NameN-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-2-methyl-1,1-dioxothiazetidine-3-carboxamide
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1NC(=O)C1CS(=O)(=O)N1C
InChIInChI=1S/C18H17F3N2O5S/c1-23-15(10-29(23,25)26)17(24)22-14-9-13(7-8-16(14)27-2)28-12-5-3-11(4-6-12)18(19,20)21/h3-9,15H,10H2,1-2H3,(H,22,24)
InChIKeyFNJGKCODLHIAHP-UHFFFAOYSA-N
XLogP3.09
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-3-acetyl-N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-2-oxoimidazolidine-4-carboxamide
CID 166073463
N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-sulfanylidenepyrrolidine-2-carboxamide
CID 166073849
N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-oxo-1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 166073765
benzyl (2S,4R)-4-hydroxy-2-[[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 166073537
N-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166074157
(2S)-N-[2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073744
(2S)-N-[2-methoxy-5-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073828
N-[5-(3-fluoro-4-methoxyphenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073875
N-(2,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535021
N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075
(3S)-N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 26201209
(4R)-2-hydroxy-N-[2-methoxy-5-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]-3-methyl-1,3-oxazolidine-4-carboxamide
CID 167236068

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-2-methyl-1,1-dioxothiazetidine-3-carboxamide?
The IUPAC name of N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-2-methyl-1,1-dioxothiazetidine-3-carboxamide (CID 166074183) is N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-2-methyl-1,1-dioxothiazetidine-3-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-2-methyl-1,1-dioxothiazetidine-3-carboxamide?
The canonical SMILES for N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-2-methyl-1,1-dioxothiazetidine-3-carboxamide is COc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1NC(=O)C1CS(=O)(=O)N1C.
What is the InChIKey of N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-2-methyl-1,1-dioxothiazetidine-3-carboxamide?
The InChIKey is FNJGKCODLHIAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O5S/c1-23-15(10-29(23,25)26)17(24)22-14-9-13(7-8-16(14)27-2)28-12-5-3-11(4-6-12)18(19,20)21/h3-9,15H,10H2,1-2H3,(H,22,24).
What are the key properties of N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-2-methyl-1,1-dioxothiazetidine-3-carboxamide?
N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-2-methyl-1,1-dioxothiazetidine-3-carboxamide has a molecular weight of 430.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-2-methyl-1,1-dioxothiazetidine-3-carboxamide is sourced from PubChem (CID 166074183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).