3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzamide

C24H17NO4S — CID 122194307

IUPAC3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc(C(=O)c3cccc(O)c3)s2)c1)c1cccc(O)c1
InChIInChI=1S/C24H17NO4S/c26-19-8-2-5-16(13-19)23(28)22-11-10-21(30-22)15-4-1-7-18(12-15)25-24(29)17-6-3-9-20(27)14-17/h1-14,26-27H,(H,25,29)
InChIKeyWGXHEWUEBOMFSQ-UHFFFAOYSA-N
MW415.47 g/mol
LogP5.31
Rot. Bonds5

About 3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzamide

3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzamide (PubChem CID 122194307) has the molecular formula C24H17NO4S and a molecular weight of 415.47 g/mol. Its IUPAC name is 3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzamide
PubChem CID122194307
Molecular FormulaC24H17NO4S
Molecular Weight415.47 g/mol
Exact Mass415.09
IUPAC Name3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc(C(=O)c3cccc(O)c3)s2)c1)c1cccc(O)c1
InChIInChI=1S/C24H17NO4S/c26-19-8-2-5-16(13-19)23(28)22-11-10-21(30-22)15-4-1-7-18(12-15)25-24(29)17-6-3-9-20(27)14-17/h1-14,26-27H,(H,25,29)
InChIKeyWGXHEWUEBOMFSQ-UHFFFAOYSA-N
XLogP5.31
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]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 3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzamide?
The IUPAC name of 3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzamide (CID 122194307) is 3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzamide.
What is the SMILES notation for 3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzamide?
The canonical SMILES for 3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzamide is O=C(Nc1cccc(-c2ccc(C(=O)c3cccc(O)c3)s2)c1)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzamide?
The InChIKey is WGXHEWUEBOMFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO4S/c26-19-8-2-5-16(13-19)23(28)22-11-10-21(30-22)15-4-1-7-18(12-15)25-24(29)17-6-3-9-20(27)14-17/h1-14,26-27H,(H,25,29).
What are the key properties of 3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzamide?
3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzamide has a molecular weight of 415.47 g/mol, XLogP of 5.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzamide is sourced from PubChem (CID 122194307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).