2-hydroxy-N-(2-hydroxyethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide

C21H17NO5S — CID 127025719

IUPAC2-hydroxy-N-(2-hydroxyethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
SMILESO=C(NCCO)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1O
InChIInChI=1S/C21H17NO5S/c23-8-7-22-20(25)16-4-2-13(10-17(16)24)19-6-5-18(28-19)12-1-3-15-14(9-12)11-27-21(15)26/h1-6,9-10,23-24H,7-8,11H2,(H,22,25)
InChIKeyFYXRSHLMYUUPTA-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.18
Rot. Bonds5

About 2-hydroxy-N-(2-hydroxyethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide

2-hydroxy-N-(2-hydroxyethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide (PubChem CID 127025719) has the molecular formula C21H17NO5S and a molecular weight of 395.44 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxyethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxyethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
PubChem CID127025719
Molecular FormulaC21H17NO5S
Molecular Weight395.44 g/mol
Exact Mass395.08
IUPAC Name2-hydroxy-N-(2-hydroxyethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
SMILESO=C(NCCO)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1O
InChIInChI=1S/C21H17NO5S/c23-8-7-22-20(25)16-4-2-13(10-17(16)24)19-6-5-18(28-19)12-1-3-15-14(9-12)11-27-21(15)26/h1-6,9-10,23-24H,7-8,11H2,(H,22,25)
InChIKeyFYXRSHLMYUUPTA-UHFFFAOYSA-N
XLogP3.18
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
The IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide (CID 127025719) is 2-hydroxy-N-(2-hydroxyethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxyethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
The canonical SMILES for 2-hydroxy-N-(2-hydroxyethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide is O=C(NCCO)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1O.
What is the InChIKey of 2-hydroxy-N-(2-hydroxyethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
The InChIKey is FYXRSHLMYUUPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO5S/c23-8-7-22-20(25)16-4-2-13(10-17(16)24)19-6-5-18(28-19)12-1-3-15-14(9-12)11-27-21(15)26/h1-6,9-10,23-24H,7-8,11H2,(H,22,25).
What are the key properties of 2-hydroxy-N-(2-hydroxyethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
2-hydroxy-N-(2-hydroxyethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide has a molecular weight of 395.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-hydroxyethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide is sourced from PubChem (CID 127025719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).