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

C18H15N5O3S — CID 14673571

IUPAC5-methoxy-3-phenylmethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(=O)Nc3nn[nH]n3)c(OCc3ccccc3)c2c1
InChIInChI=1S/C18H15N5O3S/c1-25-12-7-8-14-13(9-12)15(26-10-11-5-3-2-4-6-11)16(27-14)17(24)19-18-20-22-23-21-18/h2-9H,10H2,1H3,(H2,19,20,21,22,23,24)
InChIKeyOAQBIFGORBKWNJ-UHFFFAOYSA-N
MW381.42 g/mol
LogP3.25
Rot. Bonds6

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

5-methoxy-3-phenylmethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (PubChem CID 14673571) has the molecular formula C18H15N5O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is 5-methoxy-3-phenylmethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-phenylmethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
PubChem CID14673571
Molecular FormulaC18H15N5O3S
Molecular Weight381.42 g/mol
Exact Mass381.09
IUPAC Name5-methoxy-3-phenylmethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(=O)Nc3nn[nH]n3)c(OCc3ccccc3)c2c1
InChIInChI=1S/C18H15N5O3S/c1-25-12-7-8-14-13(9-12)15(26-10-11-5-3-2-4-6-11)16(27-14)17(24)19-18-20-22-23-21-18/h2-9H,10H2,1H3,(H2,19,20,21,22,23,24)
InChIKeyOAQBIFGORBKWNJ-UHFFFAOYSA-N
XLogP3.25
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

CI-959
CID 13961743
CI-959 free acid
CID 159289
6-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 13961670
5,6-dimethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 14673592
5,6-dimethoxy-3-phenylmethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 14673598
5,6-dimethoxy-3-phenoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 14673599
5-methoxy-6-methyl-3-[(3-methylcyclohexyl)methyl]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 71456119
5-methoxy-3-phenoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 14673576
5-Methoxy-3-phenylmethoxy-1-benzothiophene-2-carboxamide
CID 10086944
3,5-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 13961672
3-ethoxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 13961673
7-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 13961674

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-phenylmethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-methoxy-3-phenylmethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (CID 14673571) is 5-methoxy-3-phenylmethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-methoxy-3-phenylmethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-methoxy-3-phenylmethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is COc1ccc2sc(C(=O)Nc3nn[nH]n3)c(OCc3ccccc3)c2c1.
What is the InChIKey of 5-methoxy-3-phenylmethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is OAQBIFGORBKWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3S/c1-25-12-7-8-14-13(9-12)15(26-10-11-5-3-2-4-6-11)16(27-14)17(24)19-18-20-22-23-21-18/h2-9H,10H2,1H3,(H2,19,20,21,22,23,24).
What are the key properties of 5-methoxy-3-phenylmethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
5-methoxy-3-phenylmethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 381.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-phenylmethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 14673571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).