3-(2-cyclopropylethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide

C17H19N5O4S — CID 11234651

IUPAC3-(2-cyclopropylethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1cc2sc(C(=O)Nc3nn[nH]n3)c(OCCC3CC3)c2cc1OC
InChIInChI=1S/C17H19N5O4S/c1-24-11-7-10-13(8-12(11)25-2)27-15(14(10)26-6-5-9-3-4-9)16(23)18-17-19-21-22-20-17/h7-9H,3-6H2,1-2H3,(H2,18,19,20,21,22,23)
InChIKeyZEBPDLXLOBTEIC-UHFFFAOYSA-N
MW389.44 g/mol
LogP2.86
Rot. Bonds8

About 3-(2-cyclopropylethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide

3-(2-cyclopropylethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (PubChem CID 11234651) has the molecular formula C17H19N5O4S and a molecular weight of 389.44 g/mol. Its IUPAC name is 3-(2-cyclopropylethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-(2-cyclopropylethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
PubChem CID11234651
Molecular FormulaC17H19N5O4S
Molecular Weight389.44 g/mol
Exact Mass389.12
IUPAC Name3-(2-cyclopropylethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1cc2sc(C(=O)Nc3nn[nH]n3)c(OCCC3CC3)c2cc1OC
InChIInChI=1S/C17H19N5O4S/c1-24-11-7-10-13(8-12(11)25-2)27-15(14(10)26-6-5-9-3-4-9)16(23)18-17-19-21-22-20-17/h7-9H,3-6H2,1-2H3,(H2,18,19,20,21,22,23)
InChIKeyZEBPDLXLOBTEIC-UHFFFAOYSA-N
XLogP2.86
TPSA111.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-(2-cyclopropylethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (CID 11234651) is 3-(2-cyclopropylethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-(2-cyclopropylethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-(2-cyclopropylethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is COc1cc2sc(C(=O)Nc3nn[nH]n3)c(OCCC3CC3)c2cc1OC.
What is the InChIKey of 3-(2-cyclopropylethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is ZEBPDLXLOBTEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4S/c1-24-11-7-10-13(8-12(11)25-2)27-15(14(10)26-6-5-9-3-4-9)16(23)18-17-19-21-22-20-17/h7-9H,3-6H2,1-2H3,(H2,18,19,20,21,22,23).
What are the key properties of 3-(2-cyclopropylethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
3-(2-cyclopropylethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 389.44 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11234651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).