N-(2-ethoxyphenyl)-2-[3-[2-(trifluoromethyl)phenyl]triazol-4-yl]sulfanylacetamide

C19H17F3N4O2S — CID 16649460

IUPACN-(2-ethoxyphenyl)-2-[3-[2-(trifluoromethyl)phenyl]triazol-4-yl]sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1cnnn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C19H17F3N4O2S/c1-2-28-16-10-6-4-8-14(16)24-17(27)12-29-18-11-23-25-26(18)15-9-5-3-7-13(15)19(20,21)22/h3-11H,2,12H2,1H3,(H,24,27)
InChIKeyBNBRTNMNSBZRAR-UHFFFAOYSA-N
MW422.43 g/mol
LogP4.42
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-[3-[2-(trifluoromethyl)phenyl]triazol-4-yl]sulfanylacetamide

N-(2-ethoxyphenyl)-2-[3-[2-(trifluoromethyl)phenyl]triazol-4-yl]sulfanylacetamide (PubChem CID 16649460) has the molecular formula C19H17F3N4O2S and a molecular weight of 422.43 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[3-[2-(trifluoromethyl)phenyl]triazol-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[3-[2-(trifluoromethyl)phenyl]triazol-4-yl]sulfanylacetamide
PubChem CID16649460
Molecular FormulaC19H17F3N4O2S
Molecular Weight422.43 g/mol
Exact Mass422.10
IUPAC NameN-(2-ethoxyphenyl)-2-[3-[2-(trifluoromethyl)phenyl]triazol-4-yl]sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1cnnn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C19H17F3N4O2S/c1-2-28-16-10-6-4-8-14(16)24-17(27)12-29-18-11-23-25-26(18)15-9-5-3-7-13(15)19(20,21)22/h3-11H,2,12H2,1H3,(H,24,27)
InChIKeyBNBRTNMNSBZRAR-UHFFFAOYSA-N
XLogP4.42
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6460612
2-{[1-(2-ethoxyphenyl)-1H-1,2,3-triazol-5-yl]sulfanyl}-N-(propan-2-yl)acetamide
CID 16649461
N-(2-propoxyphenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 30886940
N-[4-(difluoromethoxy)-2-methylphenyl]-2-(1H-1,2,3-triazol-5-ylsulfanyl)acetamide
CID 73254483
2-(4-ethoxyphenyl)sulfanyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]acetamide
CID 71909350
2-(4-ethoxyphenyl)sulfanyl-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide
CID 97101235
2-(4-ethoxyphenyl)sulfanyl-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide
CID 97101236
N-(2-phenoxyphenyl)-2-(1H-1,2,3-triazol-5-ylsulfanyl)acetamide
CID 129893221

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[3-[2-(trifluoromethyl)phenyl]triazol-4-yl]sulfanylacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[3-[2-(trifluoromethyl)phenyl]triazol-4-yl]sulfanylacetamide (CID 16649460) is N-(2-ethoxyphenyl)-2-[3-[2-(trifluoromethyl)phenyl]triazol-4-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[3-[2-(trifluoromethyl)phenyl]triazol-4-yl]sulfanylacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[3-[2-(trifluoromethyl)phenyl]triazol-4-yl]sulfanylacetamide is CCOc1ccccc1NC(=O)CSc1cnnn1-c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[3-[2-(trifluoromethyl)phenyl]triazol-4-yl]sulfanylacetamide?
The InChIKey is BNBRTNMNSBZRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2S/c1-2-28-16-10-6-4-8-14(16)24-17(27)12-29-18-11-23-25-26(18)15-9-5-3-7-13(15)19(20,21)22/h3-11H,2,12H2,1H3,(H,24,27).
What are the key properties of N-(2-ethoxyphenyl)-2-[3-[2-(trifluoromethyl)phenyl]triazol-4-yl]sulfanylacetamide?
N-(2-ethoxyphenyl)-2-[3-[2-(trifluoromethyl)phenyl]triazol-4-yl]sulfanylacetamide has a molecular weight of 422.43 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[3-[2-(trifluoromethyl)phenyl]triazol-4-yl]sulfanylacetamide is sourced from PubChem (CID 16649460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).