6-hydroxy-3-(thiophen-2-ylmethylamino)-2H-1-benzofuran-3-carboxamide

C14H14N2O3S — CID 60995666

IUPAC6-hydroxy-3-(thiophen-2-ylmethylamino)-2H-1-benzofuran-3-carboxamide
SMILESNC(=O)C1(NCc2cccs2)COc2cc(O)ccc21
InChIInChI=1S/C14H14N2O3S/c15-13(18)14(16-7-10-2-1-5-20-10)8-19-12-6-9(17)3-4-11(12)14/h1-6,16-17H,7-8H2,(H2,15,18)
InChIKeySNHUEMLNCLVQTM-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.32
Rot. Bonds4

About 6-hydroxy-3-(thiophen-2-ylmethylamino)-2H-1-benzofuran-3-carboxamide

6-hydroxy-3-(thiophen-2-ylmethylamino)-2H-1-benzofuran-3-carboxamide (PubChem CID 60995666) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 6-hydroxy-3-(thiophen-2-ylmethylamino)-2H-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-hydroxy-3-(thiophen-2-ylmethylamino)-2H-1-benzofuran-3-carboxamide
PubChem CID60995666
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name6-hydroxy-3-(thiophen-2-ylmethylamino)-2H-1-benzofuran-3-carboxamide
SMILESNC(=O)C1(NCc2cccs2)COc2cc(O)ccc21
InChIInChI=1S/C14H14N2O3S/c15-13(18)14(16-7-10-2-1-5-20-10)8-19-12-6-9(17)3-4-11(12)14/h1-6,16-17H,7-8H2,(H2,15,18)
InChIKeySNHUEMLNCLVQTM-UHFFFAOYSA-N
XLogP1.32
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-(thiophen-2-ylmethylamino)-2H-1-benzofuran-3-carboxamide?
The IUPAC name of 6-hydroxy-3-(thiophen-2-ylmethylamino)-2H-1-benzofuran-3-carboxamide (CID 60995666) is 6-hydroxy-3-(thiophen-2-ylmethylamino)-2H-1-benzofuran-3-carboxamide.
What is the SMILES notation for 6-hydroxy-3-(thiophen-2-ylmethylamino)-2H-1-benzofuran-3-carboxamide?
The canonical SMILES for 6-hydroxy-3-(thiophen-2-ylmethylamino)-2H-1-benzofuran-3-carboxamide is NC(=O)C1(NCc2cccs2)COc2cc(O)ccc21.
What is the InChIKey of 6-hydroxy-3-(thiophen-2-ylmethylamino)-2H-1-benzofuran-3-carboxamide?
The InChIKey is SNHUEMLNCLVQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c15-13(18)14(16-7-10-2-1-5-20-10)8-19-12-6-9(17)3-4-11(12)14/h1-6,16-17H,7-8H2,(H2,15,18).
What are the key properties of 6-hydroxy-3-(thiophen-2-ylmethylamino)-2H-1-benzofuran-3-carboxamide?
6-hydroxy-3-(thiophen-2-ylmethylamino)-2H-1-benzofuran-3-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-(thiophen-2-ylmethylamino)-2H-1-benzofuran-3-carboxamide is sourced from PubChem (CID 60995666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).