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

C22H19NO5S — CID 127025720

IUPAC2-hydroxy-N-(2-hydroxypropyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
SMILESCC(O)CNC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1O
InChIInChI=1S/C22H19NO5S/c1-12(24)10-23-21(26)17-5-3-14(9-18(17)25)20-7-6-19(29-20)13-2-4-16-15(8-13)11-28-22(16)27/h2-9,12,24-25H,10-11H2,1H3,(H,23,26)
InChIKeyYUKGUUJEGDEJMF-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.57
Rot. Bonds5

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

2-hydroxy-N-(2-hydroxypropyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide (PubChem CID 127025720) has the molecular formula C22H19NO5S and a molecular weight of 409.46 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxypropyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxypropyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
PubChem CID127025720
Molecular FormulaC22H19NO5S
Molecular Weight409.46 g/mol
Exact Mass409.10
IUPAC Name2-hydroxy-N-(2-hydroxypropyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
SMILESCC(O)CNC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1O
InChIInChI=1S/C22H19NO5S/c1-12(24)10-23-21(26)17-5-3-14(9-18(17)25)20-7-6-19(29-20)13-2-4-16-15(8-13)11-28-22(16)27/h2-9,12,24-25H,10-11H2,1H3,(H,23,26)
InChIKeyYUKGUUJEGDEJMF-UHFFFAOYSA-N
XLogP3.57
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.57
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-hydroxypropyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
The IUPAC name of 2-hydroxy-N-(2-hydroxypropyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide (CID 127025720) is 2-hydroxy-N-(2-hydroxypropyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxypropyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
The canonical SMILES for 2-hydroxy-N-(2-hydroxypropyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide is CC(O)CNC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1O.
What is the InChIKey of 2-hydroxy-N-(2-hydroxypropyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
The InChIKey is YUKGUUJEGDEJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5S/c1-12(24)10-23-21(26)17-5-3-14(9-18(17)25)20-7-6-19(29-20)13-2-4-16-15(8-13)11-28-22(16)27/h2-9,12,24-25H,10-11H2,1H3,(H,23,26).
What are the key properties of 2-hydroxy-N-(2-hydroxypropyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
2-hydroxy-N-(2-hydroxypropyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide has a molecular weight of 409.46 g/mol, XLogP of 3.57, 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-hydroxypropyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide is sourced from PubChem (CID 127025720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).