N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide

C26H24F2N2O3S — CID 46541502

About N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide (PubChem CID 46541502) has the molecular formula C26H24F2N2O3S and a molecular weight of 482.55 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide.

Molecular Properties

• Compound Name: N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide
• PubChem CID: 46541502
• Molecular Formula: C26H24F2N2O3S
• Molecular Weight: 482.55 g/mol
• Exact Mass: 482.15
• IUPAC Name: N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide
• SMILES: O=C(NCCc1ccc(OC(F)F)cc1)c1ccccc1SCC(=O)N1CCc2ccccc21
• InChI: InChI=1S/C26H24F2N2O3S/c27-26(28)33-20-11-9-18(10-12-20)13-15-29-25(32)21-6-2-4-8-23(21)34-17-24(31)30-16-14-19-5-1-3-7-22(19)30/h1-12,26H,13-17H2,(H,29,32)
• InChIKey: XZSRGODPNXSHCJ-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.55
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide?

The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide (CID 46541502) is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide.

What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide?

The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide is O=C(NCCc1ccc(OC(F)F)cc1)c1ccccc1SCC(=O)N1CCc2ccccc21.

What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide?

The InChIKey is XZSRGODPNXSHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N2O3S/c27-26(28)33-20-11-9-18(10-12-20)13-15-29-25(32)21-6-2-4-8-23(21)34-17-24(31)30-16-14-19-5-1-3-7-22(19)30/h1-12,26H,13-17H2,(H,29,32).

What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide?

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide has a molecular weight of 482.55 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide is sourced from PubChem (CID 46541502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).