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

C19H17N5O3S — CID 14673597

IUPAC5-phenoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCC(C)Oc1c(C(=O)Nc2nn[nH]n2)sc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C19H17N5O3S/c1-11(2)26-16-14-10-13(27-12-6-4-3-5-7-12)8-9-15(14)28-17(16)18(25)20-19-21-23-24-22-19/h3-11H,1-2H3,(H2,20,21,22,23,24,25)
InChIKeyNUHCUBRACFAWQP-UHFFFAOYSA-N
MW395.44 g/mol
LogP4.25
Rot. Bonds6

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

5-phenoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (PubChem CID 14673597) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is 5-phenoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-phenoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
PubChem CID14673597
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC Name5-phenoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCC(C)Oc1c(C(=O)Nc2nn[nH]n2)sc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C19H17N5O3S/c1-11(2)26-16-14-10-13(27-12-6-4-3-5-7-12)8-9-15(14)28-17(16)18(25)20-19-21-23-24-22-19/h3-11H,1-2H3,(H2,20,21,22,23,24,25)
InChIKeyNUHCUBRACFAWQP-UHFFFAOYSA-N
XLogP4.25
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 54.25
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-Phenylmethoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
CID 10450001
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-phenoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-phenoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (CID 14673597) is 5-phenoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-phenoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-phenoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is CC(C)Oc1c(C(=O)Nc2nn[nH]n2)sc2ccc(Oc3ccccc3)cc12.
What is the InChIKey of 5-phenoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is NUHCUBRACFAWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-11(2)26-16-14-10-13(27-12-6-4-3-5-7-12)8-9-15(14)28-17(16)18(25)20-19-21-23-24-22-19/h3-11H,1-2H3,(H2,20,21,22,23,24,25).
What are the key properties of 5-phenoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
5-phenoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 14673597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).