N-ethyl-2-[[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide

C14H15F3N6O3S — CID 8971347

IUPACN-ethyl-2-[[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide
SMILESCCNC(=O)CNC(=O)CSc1nnnn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H15F3N6O3S/c1-2-18-11(24)7-19-12(25)8-27-13-20-21-22-23(13)9-3-5-10(6-4-9)26-14(15,16)17/h3-6H,2,7-8H2,1H3,(H,18,24)(H,19,25)
InChIKeyGSXZNTZKCUUAIZ-UHFFFAOYSA-N
MW404.37 g/mol
LogP0.91
Rot. Bonds8

About N-ethyl-2-[[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide

N-ethyl-2-[[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide (PubChem CID 8971347) has the molecular formula C14H15F3N6O3S and a molecular weight of 404.37 g/mol. Its IUPAC name is N-ethyl-2-[[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide
PubChem CID8971347
Molecular FormulaC14H15F3N6O3S
Molecular Weight404.37 g/mol
Exact Mass404.09
IUPAC NameN-ethyl-2-[[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide
SMILESCCNC(=O)CNC(=O)CSc1nnnn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H15F3N6O3S/c1-2-18-11(24)7-19-12(25)8-27-13-20-21-22-23(13)9-3-5-10(6-4-9)26-14(15,16)17/h3-6H,2,7-8H2,1H3,(H,18,24)(H,19,25)
InChIKeyGSXZNTZKCUUAIZ-UHFFFAOYSA-N
XLogP0.91
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
CID 8010759
N-(1,3-thiazol-2-yl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
CID 26023726
2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 30159406
N-(4-pyrrolidin-1-ylphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
CID 24500505
N-(1-cyanocyclopentyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
CID 8007297
(2S)-N-propyl-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide
CID 9382473
2-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-ethylacetamide
CID 8691768
N-(2-methylpropyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide
CID 24500527
2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-prop-2-enylacetamide
CID 6491314
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 2610107
(2R)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide
CID 8971274
N-methyl-N-(4-nitrophenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
CID 36636214

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide?
The IUPAC name of N-ethyl-2-[[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide (CID 8971347) is N-ethyl-2-[[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide is CCNC(=O)CNC(=O)CSc1nnnn1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-ethyl-2-[[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide?
The InChIKey is GSXZNTZKCUUAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6O3S/c1-2-18-11(24)7-19-12(25)8-27-13-20-21-22-23(13)9-3-5-10(6-4-9)26-14(15,16)17/h3-6H,2,7-8H2,1H3,(H,18,24)(H,19,25).
What are the key properties of N-ethyl-2-[[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide?
N-ethyl-2-[[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide has a molecular weight of 404.37 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide is sourced from PubChem (CID 8971347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).