2,6-difluoro-N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]benzamide

C22H18F2N4O2S2 — CID 3428595

About 2,6-difluoro-N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]benzamide

2,6-difluoro-N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]benzamide (PubChem CID 3428595) has the molecular formula C22H18F2N4O2S2 and a molecular weight of 472.54 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]benzamide
• PubChem CID: 3428595
• Molecular Formula: C22H18F2N4O2S2
• Molecular Weight: 472.54 g/mol
• Exact Mass: 472.08
• IUPAC Name: 2,6-difluoro-N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]benzamide
• SMILES: O=C(CSc1cn(CCNC(=O)c2c(F)cccc2F)c2ccccc12)Nc1nccs1
• InChI: InChI=1S/C22H18F2N4O2S2/c23-15-5-3-6-16(24)20(15)21(30)25-8-10-28-12-18(14-4-1-2-7-17(14)28)32-13-19(29)27-22-26-9-11-31-22/h1-7,9,11-12H,8,10,13H2,(H,25,30)(H,26,27,29)
• InChIKey: MZAMXVCGKGFFBR-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.54
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]benzamide?

The IUPAC name of 2,6-difluoro-N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]benzamide (CID 3428595) is 2,6-difluoro-N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]benzamide.

What is the SMILES notation for 2,6-difluoro-N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]benzamide?

The canonical SMILES for 2,6-difluoro-N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]benzamide is O=C(CSc1cn(CCNC(=O)c2c(F)cccc2F)c2ccccc12)Nc1nccs1.

What is the InChIKey of 2,6-difluoro-N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]benzamide?

The InChIKey is MZAMXVCGKGFFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O2S2/c23-15-5-3-6-16(24)20(15)21(30)25-8-10-28-12-18(14-4-1-2-7-17(14)28)32-13-19(29)27-22-26-9-11-31-22/h1-7,9,11-12H,8,10,13H2,(H,25,30)(H,26,27,29).

What are the key properties of 2,6-difluoro-N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]benzamide?

2,6-difluoro-N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]benzamide has a molecular weight of 472.54 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]benzamide is sourced from PubChem (CID 3428595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).