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

C21H17NO4S — CID 168893616

IUPAC2-hydroxy-5-[5-[(Z)-(3-methoxy-3H-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide
SMILESCOC1/C(=C/c2ccc(-c3ccc(O)c(C(N)=O)c3)o2)Sc2ccccc21
InChIInChI=1S/C21H17NO4S/c1-25-20-14-4-2-3-5-18(14)27-19(20)11-13-7-9-17(26-13)12-6-8-16(23)15(10-12)21(22)24/h2-11,20,23H,1H3,(H2,22,24)/b19-11-
InChIKeyGVQSYLVTNUPXAG-ODLFYWEKSA-N
MW379.44 g/mol
LogP4.59
Rot. Bonds4

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

2-hydroxy-5-[5-[(Z)-(3-methoxy-3H-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide (PubChem CID 168893616) has the molecular formula C21H17NO4S and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-hydroxy-5-[5-[(Z)-(3-methoxy-3H-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-[5-[(Z)-(3-methoxy-3H-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide
PubChem CID168893616
Molecular FormulaC21H17NO4S
Molecular Weight379.44 g/mol
Exact Mass379.09
IUPAC Name2-hydroxy-5-[5-[(Z)-(3-methoxy-3H-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide
SMILESCOC1/C(=C/c2ccc(-c3ccc(O)c(C(N)=O)c3)o2)Sc2ccccc21
InChIInChI=1S/C21H17NO4S/c1-25-20-14-4-2-3-5-18(14)27-19(20)11-13-7-9-17(26-13)12-6-8-16(23)15(10-12)21(22)24/h2-11,20,23H,1H3,(H2,22,24)/b19-11-
InChIKeyGVQSYLVTNUPXAG-ODLFYWEKSA-N
XLogP4.59
TPSA85.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-5-[5-[(Z)-(3-methoxy-3H-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[5-[(Z)-(3-methoxy-3H-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide?
The IUPAC name of 2-hydroxy-5-[5-[(Z)-(3-methoxy-3H-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide (CID 168893616) is 2-hydroxy-5-[5-[(Z)-(3-methoxy-3H-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide.
What is the SMILES notation for 2-hydroxy-5-[5-[(Z)-(3-methoxy-3H-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide?
The canonical SMILES for 2-hydroxy-5-[5-[(Z)-(3-methoxy-3H-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide is COC1/C(=C/c2ccc(-c3ccc(O)c(C(N)=O)c3)o2)Sc2ccccc21.
What is the InChIKey of 2-hydroxy-5-[5-[(Z)-(3-methoxy-3H-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide?
The InChIKey is GVQSYLVTNUPXAG-ODLFYWEKSA-N. The full InChI is InChI=1S/C21H17NO4S/c1-25-20-14-4-2-3-5-18(14)27-19(20)11-13-7-9-17(26-13)12-6-8-16(23)15(10-12)21(22)24/h2-11,20,23H,1H3,(H2,22,24)/b19-11-.
What are the key properties of 2-hydroxy-5-[5-[(Z)-(3-methoxy-3H-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide?
2-hydroxy-5-[5-[(Z)-(3-methoxy-3H-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide has a molecular weight of 379.44 g/mol, XLogP of 4.59, 4 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-methoxy-3H-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzamide is sourced from PubChem (CID 168893616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).