2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C17H14F3N5O2S — CID 1045899

IUPAC2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCSc1ccc(-c2nnn(CC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C17H14F3N5O2S/c1-28-14-8-2-11(3-9-14)16-22-24-25(23-16)10-15(26)21-12-4-6-13(7-5-12)27-17(18,19)20/h2-9H,10H2,1H3,(H,21,26)
InChIKeyVYZABOCEWICXAP-UHFFFAOYSA-N
MW409.39 g/mol
LogP3.60
Rot. Bonds6

About 2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 1045899) has the molecular formula C17H14F3N5O2S and a molecular weight of 409.39 g/mol. Its IUPAC name is 2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID1045899
Molecular FormulaC17H14F3N5O2S
Molecular Weight409.39 g/mol
Exact Mass409.08
IUPAC Name2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCSc1ccc(-c2nnn(CC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C17H14F3N5O2S/c1-28-14-8-2-11(3-9-14)16-22-24-25(23-16)10-15(26)21-12-4-6-13(7-5-12)27-17(18,19)20/h2-9H,10H2,1H3,(H,21,26)
InChIKeyVYZABOCEWICXAP-UHFFFAOYSA-N
XLogP3.60
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 579006
N-(2-{2-[(4-Ethoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-propionamide
CID 646108
N-(2-{2-[(4-Methoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-butyramide
CID 646949
2-[5-(2-Benzenesulfonylamino-phenyl)-tetrazol-2-yl]-N-(4-methoxy-phenyl)-acetamide
CID 1463822
N-methyl-2-[5-[2-[4-(trifluoromethoxy)anilino]phenyl]tetrazol-2-yl]acetamide
CID 135372855
N-(4-Ethoxy-phenyl)-2-[5-(2-fluoro-phenyl)-tetrazol-2-yl]-acetamide
CID 647795
Cyclopropanecarboxylic acid (2-{2-[(4-methoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 655145
N-(3-fluorophenyl)-2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetamide
CID 771137
2-[5-(4-methoxyphenyl)-2H-tetraazol-2-yl]-N-phenylacetamide
CID 855858
N-Cyclopentyl-2-[{2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-acetyl}-(4-methoxy-phenyl)-amino]-propionamide
CID 3179874
2-(5-p-Tolyl-tetrazol-2-yl)-N-(4-trifluoromethoxy-phenyl)-acetamide
CID 576489
N-{4-[chloro(difluoro)methoxy]phenyl}-2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]acetamide
CID 579004

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 1045899) is 2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is CSc1ccc(-c2nnn(CC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is VYZABOCEWICXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2S/c1-28-14-8-2-11(3-9-14)16-22-24-25(23-16)10-15(26)21-12-4-6-13(7-5-12)27-17(18,19)20/h2-9H,10H2,1H3,(H,21,26).
What are the key properties of 2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 409.39 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 1045899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).