7-methoxy-N-[(1-thiophen-2-yltriazol-4-yl)methyl]-1-benzofuran-2-carboxamide

C17H14N4O3S — CID 122245678

IUPAC7-methoxy-N-[(1-thiophen-2-yltriazol-4-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCc3cn(-c4cccs4)nn3)oc12
InChIInChI=1S/C17H14N4O3S/c1-23-13-5-2-4-11-8-14(24-16(11)13)17(22)18-9-12-10-21(20-19-12)15-6-3-7-25-15/h2-8,10H,9H2,1H3,(H,18,22)
InChIKeyQJSJMTCWNJQKJF-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.01
Rot. Bonds5

About 7-methoxy-N-[(1-thiophen-2-yltriazol-4-yl)methyl]-1-benzofuran-2-carboxamide

7-methoxy-N-[(1-thiophen-2-yltriazol-4-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 122245678) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is 7-methoxy-N-[(1-thiophen-2-yltriazol-4-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[(1-thiophen-2-yltriazol-4-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID122245678
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC Name7-methoxy-N-[(1-thiophen-2-yltriazol-4-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCc3cn(-c4cccs4)nn3)oc12
InChIInChI=1S/C17H14N4O3S/c1-23-13-5-2-4-11-8-14(24-16(11)13)17(22)18-9-12-10-21(20-19-12)15-6-3-7-25-15/h2-8,10H,9H2,1H3,(H,18,22)
InChIKeyQJSJMTCWNJQKJF-UHFFFAOYSA-N
XLogP3.01
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 121083749
7-methoxy-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 90569424
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78900189
7-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 122317401
7-methoxy-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 121169592
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
7-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 53281678
7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 122318745
N-hexyl-7-methoxy-1-benzofuran-2-carboxamide
CID 78870029
7-methoxy-N-(1-thiophen-2-ylcyclopentyl)-1-benzofuran-2-carboxamide
CID 121016532
7-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-benzofuran-2-carboxamide
CID 119104814
N-[(2-imidazol-1-ylphenyl)methyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 92671810

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(1-thiophen-2-yltriazol-4-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-[(1-thiophen-2-yltriazol-4-yl)methyl]-1-benzofuran-2-carboxamide (CID 122245678) is 7-methoxy-N-[(1-thiophen-2-yltriazol-4-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[(1-thiophen-2-yltriazol-4-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[(1-thiophen-2-yltriazol-4-yl)methyl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NCc3cn(-c4cccs4)nn3)oc12.
What is the InChIKey of 7-methoxy-N-[(1-thiophen-2-yltriazol-4-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is QJSJMTCWNJQKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S/c1-23-13-5-2-4-11-8-14(24-16(11)13)17(22)18-9-12-10-21(20-19-12)15-6-3-7-25-15/h2-8,10H,9H2,1H3,(H,18,22).
What are the key properties of 7-methoxy-N-[(1-thiophen-2-yltriazol-4-yl)methyl]-1-benzofuran-2-carboxamide?
7-methoxy-N-[(1-thiophen-2-yltriazol-4-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(1-thiophen-2-yltriazol-4-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 122245678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).