2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide

C20H13NO4S — CID 168893618

IUPAC2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide
SMILESNC(=O)c1cc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)ccc1O
InChIInChI=1S/C20H13NO4S/c21-20(24)14-9-11(5-7-15(14)22)16-8-6-12(25-16)10-18-19(23)13-3-1-2-4-17(13)26-18/h1-10,22H,(H2,21,24)/b18-10-
InChIKeyQDPKJQRCLUCFSZ-ZDLGFXPLSA-N
MW363.39 g/mol
LogP4.08
Rot. Bonds3

About 2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide

2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide (PubChem CID 168893618) has the molecular formula C20H13NO4S and a molecular weight of 363.39 g/mol. Its IUPAC name is 2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide
PubChem CID168893618
Molecular FormulaC20H13NO4S
Molecular Weight363.39 g/mol
Exact Mass363.06
IUPAC Name2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide
SMILESNC(=O)c1cc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)ccc1O
InChIInChI=1S/C20H13NO4S/c21-20(24)14-9-11(5-7-15(14)22)16-8-6-12(25-16)10-18-19(23)13-3-1-2-4-17(13)26-18/h1-10,22H,(H2,21,24)/b18-10-
InChIKeyQDPKJQRCLUCFSZ-ZDLGFXPLSA-N
XLogP4.08
TPSA93.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_I(6)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide?
The IUPAC name of 2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide (CID 168893618) is 2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide.
What is the SMILES notation for 2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide?
The canonical SMILES for 2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide is NC(=O)c1cc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)ccc1O.
What is the InChIKey of 2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide?
The InChIKey is QDPKJQRCLUCFSZ-ZDLGFXPLSA-N. The full InChI is InChI=1S/C20H13NO4S/c21-20(24)14-9-11(5-7-15(14)22)16-8-6-12(25-16)10-18-19(23)13-3-1-2-4-17(13)26-18/h1-10,22H,(H2,21,24)/b18-10-.
What are the key properties of 2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide?
2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide has a molecular weight of 363.39 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide is sourced from PubChem (CID 168893618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).