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

C19H13NO4S — CID 127025716

IUPAC2-hydroxy-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1O
InChIInChI=1S/C19H13NO4S/c20-18(22)14-4-2-11(8-15(14)21)17-6-5-16(25-17)10-1-3-13-12(7-10)9-24-19(13)23/h1-8,21H,9H2,(H2,20,22)
InChIKeyCZBUHFFVQRWPLQ-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.56
Rot. Bonds3

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

2-hydroxy-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide (PubChem CID 127025716) has the molecular formula C19H13NO4S and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-hydroxy-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
PubChem CID127025716
Molecular FormulaC19H13NO4S
Molecular Weight351.38 g/mol
Exact Mass351.06
IUPAC Name2-hydroxy-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1O
InChIInChI=1S/C19H13NO4S/c20-18(22)14-4-2-11(8-15(14)21)17-6-5-16(25-17)10-1-3-13-12(7-10)9-24-19(13)23/h1-8,21H,9H2,(H2,20,22)
InChIKeyCZBUHFFVQRWPLQ-UHFFFAOYSA-N
XLogP3.56
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
CID 127029491
2-hydroxy-N-(2-hydroxyethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
CID 127025719
5-[5-(3-hydroxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one
CID 127027612
N-(2-amino-2-oxoethyl)-2-hydroxy-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
CID 127027614
N-(3-amino-3-oxopropyl)-2-hydroxy-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
CID 127027615
3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
CID 127029490
2-hydroxy-N-(2-morpholin-4-ylethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
CID 127025717
N-[2-(dimethylamino)ethyl]-2-hydroxy-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
CID 127025718
2-hydroxy-N-(2-hydroxypropyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
CID 127025720
ethyl 2-hydroxy-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzoate
CID 127026992
5-[5-(4-hydroxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one
CID 127027613
tert-Butyl 4-(3-carbamoyl-6,6-difluoro-4,5,6,7-tetrahydrobenzo[c]thiophen-1-yl)-2-hydroxybenzoate
CID 176487218

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
The IUPAC name of 2-hydroxy-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide (CID 127025716) is 2-hydroxy-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide.
What is the SMILES notation for 2-hydroxy-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
The canonical SMILES for 2-hydroxy-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide is NC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1O.
What is the InChIKey of 2-hydroxy-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
The InChIKey is CZBUHFFVQRWPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO4S/c20-18(22)14-4-2-11(8-15(14)21)17-6-5-16(25-17)10-1-3-13-12(7-10)9-24-19(13)23/h1-8,21H,9H2,(H2,20,22).
What are the key properties of 2-hydroxy-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
2-hydroxy-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide has a molecular weight of 351.38 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide is sourced from PubChem (CID 127025716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).