4-[(3S)-3-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C22H22N4O4S2 — CID 59465945

About 4-[(3S)-3-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(3S)-3-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 59465945) has the molecular formula C22H22N4O4S2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 4-[(3S)-3-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[(3S)-3-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• PubChem CID: 59465945
• Molecular Formula: C22H22N4O4S2
• Molecular Weight: 470.58 g/mol
• Exact Mass: 470.11
• IUPAC Name: 4-[(3S)-3-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• SMILES: COc1cccc2c1CCN2[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O
• InChI: InChI=1S/C22H22N4O4S2/c1-30-20-4-2-3-18-17(20)9-12-26(18)19-10-13-25(21(19)27)15-5-7-16(8-6-15)32(28,29)24-22-23-11-14-31-22/h2-8,11,14,19H,9-10,12-13H2,1H3,(H,23,24)/t19-/m0/s1
• InChIKey: AAJDIZSSWZNSDO-IBGZPJMESA-N
• XLogP: 3.12
• TPSA: 91.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.58
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The IUPAC name of 4-[(3S)-3-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 59465945) is 4-[(3S)-3-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

What is the SMILES notation for 4-[(3S)-3-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The canonical SMILES for 4-[(3S)-3-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is COc1cccc2c1CCN2[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O.

What is the InChIKey of 4-[(3S)-3-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The InChIKey is AAJDIZSSWZNSDO-IBGZPJMESA-N. The full InChI is InChI=1S/C22H22N4O4S2/c1-30-20-4-2-3-18-17(20)9-12-26(18)19-10-13-25(21(19)27)15-5-7-16(8-6-15)32(28,29)24-22-23-11-14-31-22/h2-8,11,14,19H,9-10,12-13H2,1H3,(H,23,24)/t19-/m0/s1.

What are the key properties of 4-[(3S)-3-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

4-[(3S)-3-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 470.58 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3S)-3-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 59465945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).