4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide

C18H18F3NO2S — CID 2742043

IUPAC4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCSCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H18F3NO2S/c1-24-16-7-5-14(6-8-16)17(23)22-9-10-25-12-13-3-2-4-15(11-13)18(19,20)21/h2-8,11H,9-10,12H2,1H3,(H,22,23)
InChIKeyAMUJCTZCDNOTDA-UHFFFAOYSA-N
MW369.41 g/mol
LogP4.38
Rot. Bonds7

About 4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide

4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide (PubChem CID 2742043) has the molecular formula C18H18F3NO2S and a molecular weight of 369.41 g/mol. Its IUPAC name is 4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide
PubChem CID2742043
Molecular FormulaC18H18F3NO2S
Molecular Weight369.41 g/mol
Exact Mass369.10
IUPAC Name4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCSCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H18F3NO2S/c1-24-16-7-5-14(6-8-16)17(23)22-9-10-25-12-13-3-2-4-15(11-13)18(19,20)21/h2-8,11H,9-10,12H2,1H3,(H,22,23)
InChIKeyAMUJCTZCDNOTDA-UHFFFAOYSA-N
XLogP4.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(trifluoromethoxy)-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide
CID 2742040
N-[2-[[N-ethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]ethyl]-4-methoxybenzamide
CID 111267325
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 4149542
N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 155530519
N-[2-(2-benzylsulfanylethylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 8749593
4-methoxy-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide
CID 47059239
4-methoxy-N-[2-[4-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]benzamide
CID 40908558
N-[2-(4-methoxyphenyl)-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 113090468
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 110889483
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-methoxybenzamide
CID 8757035
N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-4-phenylbenzamide
CID 126175616

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide (CID 2742043) is 4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide is COc1ccc(C(=O)NCCSCc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide?
The InChIKey is AMUJCTZCDNOTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2S/c1-24-16-7-5-14(6-8-16)17(23)22-9-10-25-12-13-3-2-4-15(11-13)18(19,20)21/h2-8,11H,9-10,12H2,1H3,(H,22,23).
What are the key properties of 4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide?
4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide has a molecular weight of 369.41 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide is sourced from PubChem (CID 2742043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).