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

C25H24N2O5S — CID 127025717

IUPAC2-hydroxy-N-(2-morpholin-4-ylethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1O
InChIInChI=1S/C25H24N2O5S/c28-21-14-17(2-4-20(21)24(29)26-7-8-27-9-11-31-12-10-27)23-6-5-22(33-23)16-1-3-19-18(13-16)15-32-25(19)30/h1-6,13-14,28H,7-12,15H2,(H,26,29)
InChIKeyVQCQVBZWNWRXKJ-UHFFFAOYSA-N
MW464.54 g/mol
LogP3.52
Rot. Bonds6

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

2-hydroxy-N-(2-morpholin-4-ylethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide (PubChem CID 127025717) has the molecular formula C25H24N2O5S and a molecular weight of 464.54 g/mol. Its IUPAC name is 2-hydroxy-N-(2-morpholin-4-ylethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-morpholin-4-ylethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
PubChem CID127025717
Molecular FormulaC25H24N2O5S
Molecular Weight464.54 g/mol
Exact Mass464.14
IUPAC Name2-hydroxy-N-(2-morpholin-4-ylethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1O
InChIInChI=1S/C25H24N2O5S/c28-21-14-17(2-4-20(21)24(29)26-7-8-27-9-11-31-12-10-27)23-6-5-22(33-23)16-1-3-19-18(13-16)15-32-25(19)30/h1-6,13-14,28H,7-12,15H2,(H,26,29)
InChIKeyVQCQVBZWNWRXKJ-UHFFFAOYSA-N
XLogP3.52
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-morpholin-4-ylethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
The IUPAC name of 2-hydroxy-N-(2-morpholin-4-ylethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide (CID 127025717) is 2-hydroxy-N-(2-morpholin-4-ylethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide.
What is the SMILES notation for 2-hydroxy-N-(2-morpholin-4-ylethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
The canonical SMILES for 2-hydroxy-N-(2-morpholin-4-ylethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide is O=C(NCCN1CCOCC1)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1O.
What is the InChIKey of 2-hydroxy-N-(2-morpholin-4-ylethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
The InChIKey is VQCQVBZWNWRXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5S/c28-21-14-17(2-4-20(21)24(29)26-7-8-27-9-11-31-12-10-27)23-6-5-22(33-23)16-1-3-19-18(13-16)15-32-25(19)30/h1-6,13-14,28H,7-12,15H2,(H,26,29).
What are the key properties of 2-hydroxy-N-(2-morpholin-4-ylethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
2-hydroxy-N-(2-morpholin-4-ylethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide has a molecular weight of 464.54 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-morpholin-4-ylethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide is sourced from PubChem (CID 127025717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).