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7-methoxy-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide

C20H19N3O3S — CID 121169592

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC7-methoxy-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCCn3nc(-c4cccs4)cc3C)oc12
InChIInChI=1S/C20H19N3O3S/c1-13-11-15(18-7-4-10-27-18)22-23(13)9-8-21-20(24)17-12-14-5-3-6-16(25-2)19(14)26-17/h3-7,10-12H,8-9H2,1-2H3,(H,21,24)
InChIKeyMVUBKEPMTXFQOG-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.10
Rot. Bonds6

About 7-methoxy-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide

7-methoxy-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 121169592) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 7-methoxy-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID121169592
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name7-methoxy-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCCn3nc(-c4cccs4)cc3C)oc12
InChIInChI=1S/C20H19N3O3S/c1-13-11-15(18-7-4-10-27-18)22-23(13)9-8-21-20(24)17-12-14-5-3-6-16(25-2)19(14)26-17/h3-7,10-12H,8-9H2,1-2H3,(H,21,24)
InChIKeyMVUBKEPMTXFQOG-UHFFFAOYSA-N
XLogP4.10
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.10
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-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide (CID 121169592) is 7-methoxy-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NCCn3nc(-c4cccs4)cc3C)oc12.
What is the InChIKey of 7-methoxy-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is MVUBKEPMTXFQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-13-11-15(18-7-4-10-27-18)22-23(13)9-8-21-20(24)17-12-14-5-3-6-16(25-2)19(14)26-17/h3-7,10-12H,8-9H2,1-2H3,(H,21,24).
What are the key properties of 7-methoxy-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide?
7-methoxy-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 4.10, 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-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 121169592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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