2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide

C19H16F3N3O2S — CID 7150934

IUPAC2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccccc1-n1ccnc1SCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3O2S/c1-27-16-8-3-2-7-15(16)25-10-9-23-18(25)28-12-17(26)24-14-6-4-5-13(11-14)19(20,21)22/h2-11H,12H2,1H3,(H,24,26)
InChIKeyCQXOHHRJYTWKSR-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.63
Rot. Bonds6

About 2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide

2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 7150934) has the molecular formula C19H16F3N3O2S and a molecular weight of 407.42 g/mol. Its IUPAC name is 2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID7150934
Molecular FormulaC19H16F3N3O2S
Molecular Weight407.42 g/mol
Exact Mass407.09
IUPAC Name2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccccc1-n1ccnc1SCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3O2S/c1-27-16-8-3-2-7-15(16)25-10-9-23-18(25)28-12-17(26)24-14-6-4-5-13(11-14)19(20,21)22/h2-11H,12H2,1H3,(H,24,26)
InChIKeyCQXOHHRJYTWKSR-UHFFFAOYSA-N
XLogP4.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide (CID 7150934) is 2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is COc1ccccc1-n1ccnc1SCC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CQXOHHRJYTWKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2S/c1-27-16-8-3-2-7-15(16)25-10-9-23-18(25)28-12-17(26)24-14-6-4-5-13(11-14)19(20,21)22/h2-11H,12H2,1H3,(H,24,26).
What are the key properties of 2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 407.42 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 7150934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).