5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenoxy]-1-benzothiophene-2-carboxamide

C19H14F3N5O3S — CID 91155921

IUPAC5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenoxy]-1-benzothiophene-2-carboxamide
SMILESCOc1cc2c(Oc3cccc(C(F)(F)F)c3)c(C(=O)Nc3nn[nH]n3)sc2cc1C
InChIInChI=1S/C19H14F3N5O3S/c1-9-6-14-12(8-13(9)29-2)15(16(31-14)17(28)23-18-24-26-27-25-18)30-11-5-3-4-10(7-11)19(20,21)22/h3-8H,1-2H3,(H2,23,24,25,26,27,28)
InChIKeyZJGYLSVQNOXSMC-UHFFFAOYSA-N
MW449.41 g/mol
LogP4.79
Rot. Bonds5

About 5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenoxy]-1-benzothiophene-2-carboxamide

5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenoxy]-1-benzothiophene-2-carboxamide (PubChem CID 91155921) has the molecular formula C19H14F3N5O3S and a molecular weight of 449.41 g/mol. Its IUPAC name is 5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenoxy]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenoxy]-1-benzothiophene-2-carboxamide
PubChem CID91155921
Molecular FormulaC19H14F3N5O3S
Molecular Weight449.41 g/mol
Exact Mass449.08
IUPAC Name5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenoxy]-1-benzothiophene-2-carboxamide
SMILESCOc1cc2c(Oc3cccc(C(F)(F)F)c3)c(C(=O)Nc3nn[nH]n3)sc2cc1C
InChIInChI=1S/C19H14F3N5O3S/c1-9-6-14-12(8-13(9)29-2)15(16(31-14)17(28)23-18-24-26-27-25-18)30-11-5-3-4-10(7-11)19(20,21)22/h3-8H,1-2H3,(H2,23,24,25,26,27,28)
InChIKeyZJGYLSVQNOXSMC-UHFFFAOYSA-N
XLogP4.79
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.41
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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3-(3-acetamidophenoxy)-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
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5-methoxy-6-methyl-3-(4-piperidin-1-ylpyrimidin-5-yl)oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 91164015
5,6-dimethoxy-3-[(2R)-1-phenylpropan-2-yl]oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
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3-cyclohexyloxy-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 11235067
[3-[4-(1,1-dioxothian-4-yl)phenoxy]-5-methoxy-6-methyl-1-benzothiophen-2-yl] N-(2H-tetrazol-5-yl)carbamate
CID 69355684
3,4-dimethoxy-5-methyl-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide
CID 14154240
5-methoxy-3-methyl-2-[3-(trifluoromethyl)phenoxy]benzoic acid
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4,5-dimethoxy-3-(naphthalen-2-ylmethoxy)-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 91057617
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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenoxy]-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenoxy]-1-benzothiophene-2-carboxamide (CID 91155921) is 5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenoxy]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenoxy]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenoxy]-1-benzothiophene-2-carboxamide is COc1cc2c(Oc3cccc(C(F)(F)F)c3)c(C(=O)Nc3nn[nH]n3)sc2cc1C.
What is the InChIKey of 5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenoxy]-1-benzothiophene-2-carboxamide?
The InChIKey is ZJGYLSVQNOXSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O3S/c1-9-6-14-12(8-13(9)29-2)15(16(31-14)17(28)23-18-24-26-27-25-18)30-11-5-3-4-10(7-11)19(20,21)22/h3-8H,1-2H3,(H2,23,24,25,26,27,28).
What are the key properties of 5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenoxy]-1-benzothiophene-2-carboxamide?
5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenoxy]-1-benzothiophene-2-carboxamide has a molecular weight of 449.41 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenoxy]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 91155921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).