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

C19H13NO3S — CID 127029490

IUPAC3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)c1
InChIInChI=1S/C19H13NO3S/c20-18(21)13-3-1-2-11(8-13)16-6-7-17(24-16)12-4-5-15-14(9-12)10-23-19(15)22/h1-9H,10H2,(H2,20,21)
InChIKeyKZTJFUBSOOXLCS-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.85
Rot. Bonds3

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

3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide (PubChem CID 127029490) has the molecular formula C19H13NO3S and a molecular weight of 335.38 g/mol. Its IUPAC name is 3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide.

Molecular Properties

Compound Name3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
PubChem CID127029490
Molecular FormulaC19H13NO3S
Molecular Weight335.38 g/mol
Exact Mass335.06
IUPAC Name3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)c1
InChIInChI=1S/C19H13NO3S/c20-18(21)13-3-1-2-11(8-13)16-6-7-17(24-16)12-4-5-15-14(9-12)10-23-19(15)22/h1-9H,10H2,(H2,20,21)
InChIKeyKZTJFUBSOOXLCS-UHFFFAOYSA-N
XLogP3.85
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
The IUPAC name of 3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide (CID 127029490) is 3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide.
What is the SMILES notation for 3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
The canonical SMILES for 3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide is NC(=O)c1cccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)c1.
What is the InChIKey of 3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
The InChIKey is KZTJFUBSOOXLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3S/c20-18(21)13-3-1-2-11(8-13)16-6-7-17(24-16)12-4-5-15-14(9-12)10-23-19(15)22/h1-9H,10H2,(H2,20,21).
What are the key properties of 3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide has a molecular weight of 335.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide is sourced from PubChem (CID 127029490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).