N-[4-methoxy-2-(trifluoromethyl)phenyl]thiomorpholine-4-carboxamide

C13H15F3N2O2S — CID 51082771

IUPACN-[4-methoxy-2-(trifluoromethyl)phenyl]thiomorpholine-4-carboxamide
SMILESCOc1ccc(NC(=O)N2CCSCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O2S/c1-20-9-2-3-11(10(8-9)13(14,15)16)17-12(19)18-4-6-21-7-5-18/h2-3,8H,4-7H2,1H3,(H,17,19)
InChIKeyQQVLVLCWQXMGEH-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.29
Rot. Bonds2

About N-[4-methoxy-2-(trifluoromethyl)phenyl]thiomorpholine-4-carboxamide

N-[4-methoxy-2-(trifluoromethyl)phenyl]thiomorpholine-4-carboxamide (PubChem CID 51082771) has the molecular formula C13H15F3N2O2S and a molecular weight of 320.34 g/mol. Its IUPAC name is N-[4-methoxy-2-(trifluoromethyl)phenyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-2-(trifluoromethyl)phenyl]thiomorpholine-4-carboxamide
PubChem CID51082771
Molecular FormulaC13H15F3N2O2S
Molecular Weight320.34 g/mol
Exact Mass320.08
IUPAC NameN-[4-methoxy-2-(trifluoromethyl)phenyl]thiomorpholine-4-carboxamide
SMILESCOc1ccc(NC(=O)N2CCSCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O2S/c1-20-9-2-3-11(10(8-9)13(14,15)16)17-12(19)18-4-6-21-7-5-18/h2-3,8H,4-7H2,1H3,(H,17,19)
InChIKeyQQVLVLCWQXMGEH-UHFFFAOYSA-N
XLogP3.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide
CID 43697093
1-(2-methoxyethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea
CID 47223994
N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 71992851
(E)-4-[4-methoxy-2-(trifluoromethyl)anilino]-4-oxobut-2-enoic acid
CID 60940535
3-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 63679600
4-hydroxy-N-[4-methoxy-2-(trifluoromethyl)phenyl]butanamide
CID 79200697
N-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide
CID 115687770
N-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 63007077
4-thiomorpholin-4-yl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 72886540
methyl 2-[4-methoxy-2-(trifluoromethyl)anilino]propanoate
CID 66173707
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105019
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,4-dimethoxyphenyl)urea
CID 108992212

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-2-(trifluoromethyl)phenyl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[4-methoxy-2-(trifluoromethyl)phenyl]thiomorpholine-4-carboxamide (CID 51082771) is N-[4-methoxy-2-(trifluoromethyl)phenyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[4-methoxy-2-(trifluoromethyl)phenyl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[4-methoxy-2-(trifluoromethyl)phenyl]thiomorpholine-4-carboxamide is COc1ccc(NC(=O)N2CCSCC2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-methoxy-2-(trifluoromethyl)phenyl]thiomorpholine-4-carboxamide?
The InChIKey is QQVLVLCWQXMGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2S/c1-20-9-2-3-11(10(8-9)13(14,15)16)17-12(19)18-4-6-21-7-5-18/h2-3,8H,4-7H2,1H3,(H,17,19).
What are the key properties of N-[4-methoxy-2-(trifluoromethyl)phenyl]thiomorpholine-4-carboxamide?
N-[4-methoxy-2-(trifluoromethyl)phenyl]thiomorpholine-4-carboxamide has a molecular weight of 320.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-2-(trifluoromethyl)phenyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 51082771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).