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

C19H13NO3S — CID 127029491

IUPAC4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1
InChIInChI=1S/C19H13NO3S/c20-18(21)12-3-1-11(2-4-12)16-7-8-17(24-16)13-5-6-15-14(9-13)10-23-19(15)22/h1-9H,10H2,(H2,20,21)
InChIKeyRQUHNRZOIBFSHS-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.85
Rot. Bonds3

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

4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide (PubChem CID 127029491) has the molecular formula C19H13NO3S and a molecular weight of 335.38 g/mol. Its IUPAC name is 4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide.

Molecular Properties

Compound Name4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
PubChem CID127029491
Molecular FormulaC19H13NO3S
Molecular Weight335.38 g/mol
Exact Mass335.06
IUPAC Name4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1
InChIInChI=1S/C19H13NO3S/c20-18(21)12-3-1-11(2-4-12)16-7-8-17(24-16)13-5-6-15-14(9-13)10-23-19(15)22/h1-9H,10H2,(H2,20,21)
InChIKeyRQUHNRZOIBFSHS-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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Related Compounds

2-hydroxy-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
CID 127025716
5-[5-[4-(hydroxymethyl)phenyl]thiophen-2-yl]-3H-2-benzofuran-1-one
CID 127027949
(3Z)-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]pyrrolidine-2,5-dione
CID 53261773
(3Z)-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]pyrrolidin-2-one
CID 53261774
5-(1-Oxo-1,3-dihydroisobenzofuran-5-yl)thiophene-2-carbaldehyde
CID 57394387
(5E)-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 57399612
2-amino-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
CID 127027945
4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzonitrile
CID 127029222
3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
CID 127029490
N-[4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]phenyl]methanesulfonamide
CID 127029798
5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one
CID 127029801
3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzenesulfonamide
CID 127034693

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
The IUPAC name of 4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide (CID 127029491) is 4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide.
What is the SMILES notation for 4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
The canonical SMILES for 4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide is NC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1.
What is the InChIKey of 4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
The InChIKey is RQUHNRZOIBFSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3S/c20-18(21)12-3-1-11(2-4-12)16-7-8-17(24-16)13-5-6-15-14(9-13)10-23-19(15)22/h1-9H,10H2,(H2,20,21).
What are the key properties of 4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
4-[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 4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide is sourced from PubChem (CID 127029491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).