7-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide

C19H17N3O3S — CID 71808140

IUPAC7-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCCn3ccc(-c4cccs4)n3)oc12
InChIInChI=1S/C19H17N3O3S/c1-24-15-5-2-4-13-12-16(25-18(13)15)19(23)20-8-10-22-9-7-14(21-22)17-6-3-11-26-17/h2-7,9,11-12H,8,10H2,1H3,(H,20,23)
InChIKeyZLGHDJLLXZQOJQ-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.80
Rot. Bonds6

About 7-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide

7-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 71808140) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 7-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID71808140
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name7-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCCn3ccc(-c4cccs4)n3)oc12
InChIInChI=1S/C19H17N3O3S/c1-24-15-5-2-4-13-12-16(25-18(13)15)19(23)20-8-10-22-9-7-14(21-22)17-6-3-11-26-17/h2-7,9,11-12H,8,10H2,1H3,(H,20,23)
InChIKeyZLGHDJLLXZQOJQ-UHFFFAOYSA-N
XLogP3.80
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide (CID 71808140) is 7-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NCCn3ccc(-c4cccs4)n3)oc12.
What is the InChIKey of 7-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is ZLGHDJLLXZQOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-24-15-5-2-4-13-12-16(25-18(13)15)19(23)20-8-10-22-9-7-14(21-22)17-6-3-11-26-17/h2-7,9,11-12H,8,10H2,1H3,(H,20,23).
What are the key properties of 7-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide?
7-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71808140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).