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

C15H17N5O4S — CID 14673592

IUPAC5,6-dimethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1cc2sc(C(=O)Nc3nn[nH]n3)c(OC(C)C)c2cc1OC
InChIInChI=1S/C15H17N5O4S/c1-7(2)24-12-8-5-9(22-3)10(23-4)6-11(8)25-13(12)14(21)16-15-17-19-20-18-15/h5-7H,1-4H3,(H2,16,17,18,19,20,21)
InChIKeyAGKODSPXFJOZJG-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.47
Rot. Bonds6

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

5,6-dimethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (PubChem CID 14673592) has the molecular formula C15H17N5O4S and a molecular weight of 363.40 g/mol. Its IUPAC name is 5,6-dimethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5,6-dimethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
PubChem CID14673592
Molecular FormulaC15H17N5O4S
Molecular Weight363.40 g/mol
Exact Mass363.10
IUPAC Name5,6-dimethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1cc2sc(C(=O)Nc3nn[nH]n3)c(OC(C)C)c2cc1OC
InChIInChI=1S/C15H17N5O4S/c1-7(2)24-12-8-5-9(22-3)10(23-4)6-11(8)25-13(12)14(21)16-15-17-19-20-18-15/h5-7H,1-4H3,(H2,16,17,18,19,20,21)
InChIKeyAGKODSPXFJOZJG-UHFFFAOYSA-N
XLogP2.47
TPSA111.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5,6-dimethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (CID 14673592) is 5,6-dimethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5,6-dimethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5,6-dimethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is COc1cc2sc(C(=O)Nc3nn[nH]n3)c(OC(C)C)c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is AGKODSPXFJOZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O4S/c1-7(2)24-12-8-5-9(22-3)10(23-4)6-11(8)25-13(12)14(21)16-15-17-19-20-18-15/h5-7H,1-4H3,(H2,16,17,18,19,20,21).
What are the key properties of 5,6-dimethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
5,6-dimethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 363.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 14673592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).