N-(9H-fluoren-2-yl)-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide

C27H22N2O3S2 — CID 121059631

About N-(9H-fluoren-2-yl)-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide

N-(9H-fluoren-2-yl)-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide (PubChem CID 121059631) has the molecular formula C27H22N2O3S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-(9H-fluoren-2-yl)-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(9H-fluoren-2-yl)-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
• PubChem CID: 121059631
• Molecular Formula: C27H22N2O3S2
• Molecular Weight: 486.62 g/mol
• Exact Mass: 486.11
• IUPAC Name: N-(9H-fluoren-2-yl)-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
• SMILES: COc1ccc(C(=O)CSc2nc(CC(=O)Nc3ccc4c(c3)Cc3ccccc3-4)cs2)cc1
• InChI: InChI=1S/C27H22N2O3S2/c1-32-22-9-6-17(7-10-22)25(30)16-34-27-29-21(15-33-27)14-26(31)28-20-8-11-24-19(13-20)12-18-4-2-3-5-23(18)24/h2-11,13,15H,12,14,16H2,1H3,(H,28,31)
• InChIKey: PAKFFWOYDJMUKV-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 68.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.62
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-2-yl)-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?

The IUPAC name of N-(9H-fluoren-2-yl)-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide (CID 121059631) is N-(9H-fluoren-2-yl)-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide.

What is the SMILES notation for N-(9H-fluoren-2-yl)-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?

The canonical SMILES for N-(9H-fluoren-2-yl)-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide is COc1ccc(C(=O)CSc2nc(CC(=O)Nc3ccc4c(c3)Cc3ccccc3-4)cs2)cc1.

What is the InChIKey of N-(9H-fluoren-2-yl)-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?

The InChIKey is PAKFFWOYDJMUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3S2/c1-32-22-9-6-17(7-10-22)25(30)16-34-27-29-21(15-33-27)14-26(31)28-20-8-11-24-19(13-20)12-18-4-2-3-5-23(18)24/h2-11,13,15H,12,14,16H2,1H3,(H,28,31).

What are the key properties of N-(9H-fluoren-2-yl)-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?

N-(9H-fluoren-2-yl)-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide has a molecular weight of 486.62 g/mol, XLogP of 5.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9H-fluoren-2-yl)-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 121059631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).