N-(furan-2-ylmethyl)-2,4,6-trimethyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzenesulfonamide

C27H27N3O3S2 — CID 3451757

About N-(furan-2-ylmethyl)-2,4,6-trimethyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzenesulfonamide

N-(furan-2-ylmethyl)-2,4,6-trimethyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzenesulfonamide (PubChem CID 3451757) has the molecular formula C27H27N3O3S2 and a molecular weight of 505.67 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,4,6-trimethyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-2,4,6-trimethyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzenesulfonamide
• PubChem CID: 3451757
• Molecular Formula: C27H27N3O3S2
• Molecular Weight: 505.67 g/mol
• Exact Mass: 505.15
• IUPAC Name: N-(furan-2-ylmethyl)-2,4,6-trimethyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzenesulfonamide
• SMILES: Cc1cc(C)c(S(=O)(=O)N(CCc2csc3nc(-c4ccccc4)cn23)Cc2ccco2)c(C)c1
• InChI: InChI=1S/C27H27N3O3S2/c1-19-14-20(2)26(21(3)15-19)35(31,32)29(16-24-10-7-13-33-24)12-11-23-18-34-27-28-25(17-30(23)27)22-8-5-4-6-9-22/h4-10,13-15,17-18H,11-12,16H2,1-3H3
• InChIKey: HHHPTBOEZAPAFJ-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 67.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.67
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,4,6-trimethyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzenesulfonamide?

The IUPAC name of N-(furan-2-ylmethyl)-2,4,6-trimethyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzenesulfonamide (CID 3451757) is N-(furan-2-ylmethyl)-2,4,6-trimethyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzenesulfonamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-2,4,6-trimethyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzenesulfonamide?

The canonical SMILES for N-(furan-2-ylmethyl)-2,4,6-trimethyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N(CCc2csc3nc(-c4ccccc4)cn23)Cc2ccco2)c(C)c1.

What is the InChIKey of N-(furan-2-ylmethyl)-2,4,6-trimethyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzenesulfonamide?

The InChIKey is HHHPTBOEZAPAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3S2/c1-19-14-20(2)26(21(3)15-19)35(31,32)29(16-24-10-7-13-33-24)12-11-23-18-34-27-28-25(17-30(23)27)22-8-5-4-6-9-22/h4-10,13-15,17-18H,11-12,16H2,1-3H3.

What are the key properties of N-(furan-2-ylmethyl)-2,4,6-trimethyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzenesulfonamide?

N-(furan-2-ylmethyl)-2,4,6-trimethyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 505.67 g/mol, XLogP of 6.01, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-2,4,6-trimethyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 3451757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).