N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C24H22N2O5S — CID 1139482

About N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 1139482) has the molecular formula C24H22N2O5S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
• PubChem CID: 1139482
• Molecular Formula: C24H22N2O5S
• Molecular Weight: 450.52 g/mol
• Exact Mass: 450.12
• IUPAC Name: N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
• SMILES: COc1cc(C(=O)N(Cc2ccco2)c2nc(-c3ccccc3)cs2)cc(OC)c1OC
• InChI: InChI=1S/C24H22N2O5S/c1-28-20-12-17(13-21(29-2)22(20)30-3)23(27)26(14-18-10-7-11-31-18)24-25-19(15-32-24)16-8-5-4-6-9-16/h4-13,15H,14H2,1-3H3
• InChIKey: IFUNZLMIJLSCOB-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 74.03 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.52
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?

The IUPAC name of N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 1139482) is N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?

The canonical SMILES for N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is COc1cc(C(=O)N(Cc2ccco2)c2nc(-c3ccccc3)cs2)cc(OC)c1OC.

What is the InChIKey of N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?

The InChIKey is IFUNZLMIJLSCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5S/c1-28-20-12-17(13-21(29-2)22(20)30-3)23(27)26(14-18-10-7-11-31-18)24-25-19(15-32-24)16-8-5-4-6-9-16/h4-13,15H,14H2,1-3H3.

What are the key properties of N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?

N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 450.52 g/mol, XLogP of 5.28, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 1139482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).