5-methoxy-3-phenoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide

C17H13N5O3S — CID 14673576

IUPAC5-methoxy-3-phenoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(=O)Nc3nn[nH]n3)c(Oc3ccccc3)c2c1
InChIInChI=1S/C17H13N5O3S/c1-24-11-7-8-13-12(9-11)14(25-10-5-3-2-4-6-10)15(26-13)16(23)18-17-19-21-22-20-17/h2-9H,1H3,(H2,18,19,20,21,22,23)
InChIKeyFSXREDDGKGXHPR-UHFFFAOYSA-N
MW367.39 g/mol
LogP3.47
Rot. Bonds5

About 5-methoxy-3-phenoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide

5-methoxy-3-phenoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (PubChem CID 14673576) has the molecular formula C17H13N5O3S and a molecular weight of 367.39 g/mol. Its IUPAC name is 5-methoxy-3-phenoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-phenoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
PubChem CID14673576
Molecular FormulaC17H13N5O3S
Molecular Weight367.39 g/mol
Exact Mass367.07
IUPAC Name5-methoxy-3-phenoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(=O)Nc3nn[nH]n3)c(Oc3ccccc3)c2c1
InChIInChI=1S/C17H13N5O3S/c1-24-11-7-8-13-12(9-11)14(25-10-5-3-2-4-6-10)15(26-13)16(23)18-17-19-21-22-20-17/h2-9H,1H3,(H2,18,19,20,21,22,23)
InChIKeyFSXREDDGKGXHPR-UHFFFAOYSA-N
XLogP3.47
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-acetamidophenoxy)-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 91360519
5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenoxy]-1-benzothiophene-2-carboxamide
CID 91382278
5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenoxy]-1-benzothiophene-2-carboxamide
CID 91155921
5,6-dimethoxy-3-[(2R)-1-phenylpropan-2-yl]oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 91223890
3-[4-(3-hydroxycyclohexyl)phenoxy]-5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 69355543
3-chloro-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 2851499
4,5-dimethoxy-3-(naphthalen-2-ylmethoxy)-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 91057617
3,4-dimethoxy-5-methyl-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide
CID 14154240
(3-cyclohexylsulfanyl-5-methoxy-1-benzothiophen-2-yl) N-(2H-tetrazol-5-yl)carbamate
CID 69362214
3-[4-(3-butylcyclohexyl)phenoxy]-5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 90927132
3-cyclohexyloxy-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 11235067
2-(4-methoxyphenyl)-4-methyl-N-(2H-tetrazol-5-yl)-1,3-thiazole-5-carboxamide
CID 14772776

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-phenoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-methoxy-3-phenoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (CID 14673576) is 5-methoxy-3-phenoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-methoxy-3-phenoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-methoxy-3-phenoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is COc1ccc2sc(C(=O)Nc3nn[nH]n3)c(Oc3ccccc3)c2c1.
What is the InChIKey of 5-methoxy-3-phenoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is FSXREDDGKGXHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3S/c1-24-11-7-8-13-12(9-11)14(25-10-5-3-2-4-6-10)15(26-13)16(23)18-17-19-21-22-20-17/h2-9H,1H3,(H2,18,19,20,21,22,23).
What are the key properties of 5-methoxy-3-phenoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
5-methoxy-3-phenoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 367.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-phenoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 14673576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).