(2S)-1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide

C20H22N4O3S — CID 31844201

About (2S)-1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide

(2S)-1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 31844201) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is (2S)-1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

• Compound Name: (2S)-1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
• PubChem CID: 31844201
• Molecular Formula: C20H22N4O3S
• Molecular Weight: 398.49 g/mol
• Exact Mass: 398.14
• IUPAC Name: (2S)-1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
• SMILES: CC(=O)N1c2ccc(S(=O)(=O)NCCc3cn4ccccc4n3)cc2C[C@@H]1C
• InChI: InChI=1S/C20H22N4O3S/c1-14-11-16-12-18(6-7-19(16)24(14)15(2)25)28(26,27)21-9-8-17-13-23-10-4-3-5-20(23)22-17/h3-7,10,12-14,21H,8-9,11H2,1-2H3/t14-/m0/s1
• InChIKey: STEJNNFZUSEDBX-AWEZNQCLSA-N
• XLogP: 2.15
• TPSA: 83.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.49
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?

The IUPAC name of (2S)-1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 31844201) is (2S)-1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide.

What is the SMILES notation for (2S)-1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?

The canonical SMILES for (2S)-1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide is CC(=O)N1c2ccc(S(=O)(=O)NCCc3cn4ccccc4n3)cc2C[C@@H]1C.

What is the InChIKey of (2S)-1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?

The InChIKey is STEJNNFZUSEDBX-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-14-11-16-12-18(6-7-19(16)24(14)15(2)25)28(26,27)21-9-8-17-13-23-10-4-3-5-20(23)22-17/h3-7,10,12-14,21H,8-9,11H2,1-2H3/t14-/m0/s1.

What are the key properties of (2S)-1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?

(2S)-1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 398.49 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 31844201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).