N,N-diethyl-3-[5-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide

C23H24N4O4S2 — CID 2689754

About N,N-diethyl-3-[5-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide

N,N-diethyl-3-[5-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide (PubChem CID 2689754) has the molecular formula C23H24N4O4S2 and a molecular weight of 484.60 g/mol. Its IUPAC name is N,N-diethyl-3-[5-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: N,N-diethyl-3-[5-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide
• PubChem CID: 2689754
• Molecular Formula: C23H24N4O4S2
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.12
• IUPAC Name: N,N-diethyl-3-[5-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide
• SMILES: CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3c(C)[nH]c4ccccc34)o2)c1
• InChI: InChI=1S/C23H24N4O4S2/c1-4-27(5-2)33(29,30)17-10-8-9-16(13-17)22-25-26-23(31-22)32-14-20(28)21-15(3)24-19-12-7-6-11-18(19)21/h6-13,24H,4-5,14H2,1-3H3
• InChIKey: FWKMHRYIMZVEIA-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 109.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[5-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide?

The IUPAC name of N,N-diethyl-3-[5-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide (CID 2689754) is N,N-diethyl-3-[5-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide.

What is the SMILES notation for N,N-diethyl-3-[5-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide?

The canonical SMILES for N,N-diethyl-3-[5-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3c(C)[nH]c4ccccc34)o2)c1.

What is the InChIKey of N,N-diethyl-3-[5-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide?

The InChIKey is FWKMHRYIMZVEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S2/c1-4-27(5-2)33(29,30)17-10-8-9-16(13-17)22-25-26-23(31-22)32-14-20(28)21-15(3)24-19-12-7-6-11-18(19)21/h6-13,24H,4-5,14H2,1-3H3.

What are the key properties of N,N-diethyl-3-[5-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide?

N,N-diethyl-3-[5-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide has a molecular weight of 484.60 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-3-[5-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 2689754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).