2-(2-methoxyphenoxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide

C14H14F3N3O3S — CID 118771869

IUPAC2-(2-methoxyphenoxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide
SMILESCOc1ccccc1OCC(=O)NCCc1nnc(C(F)(F)F)s1
InChIInChI=1S/C14H14F3N3O3S/c1-22-9-4-2-3-5-10(9)23-8-11(21)18-7-6-12-19-20-13(24-12)14(15,16)17/h2-5H,6-8H2,1H3,(H,18,21)
InChIKeyPAAFHPPRMJMDAF-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.30
Rot. Bonds7

About 2-(2-methoxyphenoxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide

2-(2-methoxyphenoxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide (PubChem CID 118771869) has the molecular formula C14H14F3N3O3S and a molecular weight of 361.35 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide
PubChem CID118771869
Molecular FormulaC14H14F3N3O3S
Molecular Weight361.35 g/mol
Exact Mass361.07
IUPAC Name2-(2-methoxyphenoxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide
SMILESCOc1ccccc1OCC(=O)NCCc1nnc(C(F)(F)F)s1
InChIInChI=1S/C14H14F3N3O3S/c1-22-9-4-2-3-5-10(9)23-8-11(21)18-7-6-12-19-20-13(24-12)14(15,16)17/h2-5H,6-8H2,1H3,(H,18,21)
InChIKeyPAAFHPPRMJMDAF-UHFFFAOYSA-N
XLogP2.30
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 91831542
2-(2-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26732878
N-[2-(2-methoxyphenoxy)ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46546443
N-[2-(3,5-difluorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 51101643
2-(2-methoxyphenoxy)-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 110660588
2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5202520
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 110393578
2-(2-methoxyphenoxy)-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]acetamide
CID 110314664
2-hydroxy-4-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 107831912
N-(3-hydroxypentyl)-2-(2-methoxyphenoxy)acetamide
CID 115703728
N-hexyl-2-(2-methoxyphenoxy)acetamide
CID 19169780

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide (CID 118771869) is 2-(2-methoxyphenoxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide is COc1ccccc1OCC(=O)NCCc1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide?
The InChIKey is PAAFHPPRMJMDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O3S/c1-22-9-4-2-3-5-10(9)23-8-11(21)18-7-6-12-19-20-13(24-12)14(15,16)17/h2-5H,6-8H2,1H3,(H,18,21).
What are the key properties of 2-(2-methoxyphenoxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide?
2-(2-methoxyphenoxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide has a molecular weight of 361.35 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 118771869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).