5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenoxy]-1-benzothiophene-2-carboxamide

C19H14F3N5O4S — CID 91382278

IUPAC5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenoxy]-1-benzothiophene-2-carboxamide
SMILESCOc1cc2c(Oc3ccc(OC(F)(F)F)cc3)c(C(=O)Nc3nn[nH]n3)sc2cc1C
InChIInChI=1S/C19H14F3N5O4S/c1-9-7-14-12(8-13(9)29-2)15(16(32-14)17(28)23-18-24-26-27-25-18)30-10-3-5-11(6-4-10)31-19(20,21)22/h3-8H,1-2H3,(H2,23,24,25,26,27,28)
InChIKeySQUFUCWDRCCTJU-UHFFFAOYSA-N
MW465.41 g/mol
LogP4.67
Rot. Bonds6

About 5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenoxy]-1-benzothiophene-2-carboxamide

5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenoxy]-1-benzothiophene-2-carboxamide (PubChem CID 91382278) has the molecular formula C19H14F3N5O4S and a molecular weight of 465.41 g/mol. Its IUPAC name is 5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenoxy]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenoxy]-1-benzothiophene-2-carboxamide
PubChem CID91382278
Molecular FormulaC19H14F3N5O4S
Molecular Weight465.41 g/mol
Exact Mass465.07
IUPAC Name5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenoxy]-1-benzothiophene-2-carboxamide
SMILESCOc1cc2c(Oc3ccc(OC(F)(F)F)cc3)c(C(=O)Nc3nn[nH]n3)sc2cc1C
InChIInChI=1S/C19H14F3N5O4S/c1-9-7-14-12(8-13(9)29-2)15(16(32-14)17(28)23-18-24-26-27-25-18)30-10-3-5-11(6-4-10)31-19(20,21)22/h3-8H,1-2H3,(H2,23,24,25,26,27,28)
InChIKeySQUFUCWDRCCTJU-UHFFFAOYSA-N
XLogP4.67
TPSA111.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.41
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenoxy]-1-benzothiophene-2-carboxamide
CID 91155921
[3-(4-fluorophenoxy)-5-methoxy-6-methyl-1-benzothiophen-2-yl] N-(2H-tetrazol-5-yl)carbamate
CID 69354783
3-[4-(3-hydroxycyclohexyl)phenoxy]-5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 69355543
5-methoxy-3-phenoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 14673576
3-[4-(3-butylcyclohexyl)phenoxy]-5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 90927132
5-methoxy-6-methyl-3-(3-methylcyclohexyl)oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 11292545
5-methoxy-6-methyl-3-[(1S,3S)-3-methylcyclohexyl]oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 86311022
5-methoxy-6-methyl-3-(4-piperidin-1-ylpyrimidin-5-yl)oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 91164015
[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-(3-acetamidophenoxy)-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 91360519
3-cyclohexyloxy-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 11235067
5,6-dimethoxy-3-[(2R)-1-phenylpropan-2-yl]oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 91223890

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenoxy]-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenoxy]-1-benzothiophene-2-carboxamide (CID 91382278) is 5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenoxy]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenoxy]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenoxy]-1-benzothiophene-2-carboxamide is COc1cc2c(Oc3ccc(OC(F)(F)F)cc3)c(C(=O)Nc3nn[nH]n3)sc2cc1C.
What is the InChIKey of 5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenoxy]-1-benzothiophene-2-carboxamide?
The InChIKey is SQUFUCWDRCCTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O4S/c1-9-7-14-12(8-13(9)29-2)15(16(32-14)17(28)23-18-24-26-27-25-18)30-10-3-5-11(6-4-10)31-19(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-[4-(trifluoromethoxy)phenoxy]-1-benzothiophene-2-carboxamide?
5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenoxy]-1-benzothiophene-2-carboxamide has a molecular weight of 465.41 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenoxy]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 91382278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).