4-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide

C26H24N4O4S2 — CID 43975439

About 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide

4-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43975439) has the molecular formula C26H24N4O4S2 and a molecular weight of 520.64 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 43975439
• Molecular Formula: C26H24N4O4S2
• Molecular Weight: 520.64 g/mol
• Exact Mass: 520.12
• IUPAC Name: 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: CCSc1ccc(Cc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)o2)cc1
• InChI: InChI=1S/C26H24N4O4S2/c1-2-35-21-11-7-18(8-12-21)17-24-28-29-26(34-24)27-25(31)20-9-13-22(14-10-20)36(32,33)30-16-15-19-5-3-4-6-23(19)30/h3-14H,2,15-17H2,1H3,(H,27,29,31)
• InChIKey: DLTGQRPAAGRYRU-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.64
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?

The IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (CID 43975439) is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.

What is the SMILES notation for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?

The canonical SMILES for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is CCSc1ccc(Cc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)o2)cc1.

What is the InChIKey of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?

The InChIKey is DLTGQRPAAGRYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4S2/c1-2-35-21-11-7-18(8-12-21)17-24-28-29-26(34-24)27-25(31)20-9-13-22(14-10-20)36(32,33)30-16-15-19-5-3-4-6-23(19)30/h3-14H,2,15-17H2,1H3,(H,27,29,31).

What are the key properties of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?

4-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 520.64 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43975439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).