N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide

C14H14F3N3O2S — CID 47789441

IUPACN-[2-(2-imidazol-1-ylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide
SMILESO=C(CSC(F)(F)F)Nc1ccccc1OCCn1ccnc1
InChIInChI=1S/C14H14F3N3O2S/c15-14(16,17)23-9-13(21)19-11-3-1-2-4-12(11)22-8-7-20-6-5-18-10-20/h1-6,10H,7-9H2,(H,19,21)
InChIKeyACBWTHXQVMCRBZ-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.15
Rot. Bonds7

About N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide

N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 47789441) has the molecular formula C14H14F3N3O2S and a molecular weight of 345.35 g/mol. Its IUPAC name is N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-imidazol-1-ylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide
PubChem CID47789441
Molecular FormulaC14H14F3N3O2S
Molecular Weight345.35 g/mol
Exact Mass345.08
IUPAC NameN-[2-(2-imidazol-1-ylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide
SMILESO=C(CSC(F)(F)F)Nc1ccccc1OCCn1ccnc1
InChIInChI=1S/C14H14F3N3O2S/c15-14(16,17)23-9-13(21)19-11-3-1-2-4-12(11)22-8-7-20-6-5-18-10-20/h1-6,10H,7-9H2,(H,19,21)
InChIKeyACBWTHXQVMCRBZ-UHFFFAOYSA-N
XLogP3.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-bromophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide
CID 60586152
2-(cyclopropylmethylamino)-N-[2-(2-imidazol-1-ylethoxy)phenyl]acetamide;dihydrochloride
CID 119862195
3-(4-chlorophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide
CID 47789737
N-[2-(2-phenylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55675133
N-[2-(2-imidazol-1-ylethoxy)phenyl]-4-phenylbenzamide
CID 47789751
3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride
CID 120503297
(E)-3-(4-fluorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide
CID 47789776
1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylurea
CID 99833540
5-cyclopropyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyrazolidine-3-carboxamide
CID 75613738
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide
CID 56540324
1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-[1-(methoxymethyl)cyclobutyl]urea
CID 131961558
(E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylprop-2-enamide
CID 51094332

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide (CID 47789441) is N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide is O=C(CSC(F)(F)F)Nc1ccccc1OCCn1ccnc1.
What is the InChIKey of N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is ACBWTHXQVMCRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2S/c15-14(16,17)23-9-13(21)19-11-3-1-2-4-12(11)22-8-7-20-6-5-18-10-20/h1-6,10H,7-9H2,(H,19,21).
What are the key properties of N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide?
N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 345.35 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 47789441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).