3-[(4-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide

C18H15N3O3S — CID 2248518

IUPAC3-[(4-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C(=O)Nc3nccs3)c2)cc1
InChIInChI=1S/C18H15N3O3S/c1-24-15-7-5-12(6-8-15)16(22)20-14-4-2-3-13(11-14)17(23)21-18-19-9-10-25-18/h2-11H,1H3,(H,20,22)(H,19,21,23)
InChIKeyJMLGFNVLDXUEOP-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.66
Rot. Bonds5

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

3-[(4-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 2248518) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-[(4-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[(4-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID2248518
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name3-[(4-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C(=O)Nc3nccs3)c2)cc1
InChIInChI=1S/C18H15N3O3S/c1-24-15-7-5-12(6-8-15)16(22)20-14-4-2-3-13(11-14)17(23)21-18-19-9-10-25-18/h2-11H,1H3,(H,20,22)(H,19,21,23)
InChIKeyJMLGFNVLDXUEOP-UHFFFAOYSA-N
XLogP3.66
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-[(4-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide (CID 2248518) is 3-[(4-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-[(4-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-[(4-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide is COc1ccc(C(=O)Nc2cccc(C(=O)Nc3nccs3)c2)cc1.
What is the InChIKey of 3-[(4-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is JMLGFNVLDXUEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-24-15-7-5-12(6-8-15)16(22)20-14-4-2-3-13(11-14)17(23)21-18-19-9-10-25-18/h2-11H,1H3,(H,20,22)(H,19,21,23).
What are the key properties of 3-[(4-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
3-[(4-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 353.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2248518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).