4-methoxy-N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide

C25H20N2O4S — CID 162668393

IUPAC4-methoxy-N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccc(OC)cc3)s2)cc1
InChIInChI=1S/C25H20N2O4S/c1-30-19-12-8-17(9-13-19)22(28)23-21(16-6-4-3-5-7-16)26-25(32-23)27-24(29)18-10-14-20(31-2)15-11-18/h3-15H,1-2H3,(H,26,27,29)
InChIKeyNBWJYVUYQITPIR-UHFFFAOYSA-N
MW444.51 g/mol
LogP5.31
Rot. Bonds7

About 4-methoxy-N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide

4-methoxy-N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide (PubChem CID 162668393) has the molecular formula C25H20N2O4S and a molecular weight of 444.51 g/mol. Its IUPAC name is 4-methoxy-N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
PubChem CID162668393
Molecular FormulaC25H20N2O4S
Molecular Weight444.51 g/mol
Exact Mass444.11
IUPAC Name4-methoxy-N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccc(OC)cc3)s2)cc1
InChIInChI=1S/C25H20N2O4S/c1-30-19-12-8-17(9-13-19)22(28)23-21(16-6-4-3-5-7-16)26-25(32-23)27-24(29)18-10-14-20(31-2)15-11-18/h3-15H,1-2H3,(H,26,27,29)
InChIKeyNBWJYVUYQITPIR-UHFFFAOYSA-N
XLogP5.31
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.51
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide (CID 162668393) is 4-methoxy-N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide is COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccc(OC)cc3)s2)cc1.
What is the InChIKey of 4-methoxy-N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is NBWJYVUYQITPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O4S/c1-30-19-12-8-17(9-13-19)22(28)23-21(16-6-4-3-5-7-16)26-25(32-23)27-24(29)18-10-14-20(31-2)15-11-18/h3-15H,1-2H3,(H,26,27,29).
What are the key properties of 4-methoxy-N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
4-methoxy-N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 444.51 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 162668393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).