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

C25H19NO4S — CID 122194308

IUPAC3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-N-methylbenzamide
SMILESCN(C(=O)c1cccc(O)c1)c1cccc(-c2ccc(C(=O)c3cccc(O)c3)s2)c1
InChIInChI=1S/C25H19NO4S/c1-26(25(30)18-7-4-10-21(28)15-18)19-8-2-5-16(13-19)22-11-12-23(31-22)24(29)17-6-3-9-20(27)14-17/h2-15,27-28H,1H3
InChIKeyYUTGRFKCRCLPIJ-UHFFFAOYSA-N
MW429.50 g/mol
LogP5.33
Rot. Bonds5

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

3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-N-methylbenzamide (PubChem CID 122194308) has the molecular formula C25H19NO4S and a molecular weight of 429.50 g/mol. Its IUPAC name is 3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-N-methylbenzamide
PubChem CID122194308
Molecular FormulaC25H19NO4S
Molecular Weight429.50 g/mol
Exact Mass429.10
IUPAC Name3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-N-methylbenzamide
SMILESCN(C(=O)c1cccc(O)c1)c1cccc(-c2ccc(C(=O)c3cccc(O)c3)s2)c1
InChIInChI=1S/C25H19NO4S/c1-26(25(30)18-7-4-10-21(28)15-18)19-8-2-5-16(13-19)22-11-12-23(31-22)24(29)17-6-3-9-20(27)14-17/h2-15,27-28H,1H3
InChIKeyYUTGRFKCRCLPIJ-UHFFFAOYSA-N
XLogP5.33
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-N-methylbenzamide?
The IUPAC name of 3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-N-methylbenzamide (CID 122194308) is 3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-N-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-N-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-N-methylbenzamide is CN(C(=O)c1cccc(O)c1)c1cccc(-c2ccc(C(=O)c3cccc(O)c3)s2)c1.
What is the InChIKey of 3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-N-methylbenzamide?
The InChIKey is YUTGRFKCRCLPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO4S/c1-26(25(30)18-7-4-10-21(28)15-18)19-8-2-5-16(13-19)22-11-12-23(31-22)24(29)17-6-3-9-20(27)14-17/h2-15,27-28H,1H3.
What are the key properties of 3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-N-methylbenzamide?
3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-N-methylbenzamide has a molecular weight of 429.50 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 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]-N-methylbenzamide is sourced from PubChem (CID 122194308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).