1'-acetyl-1-[2-(5-chloro-1,3-thiazol-2-yl)acetyl]-N-(furan-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide

C23H23ClN4O5S2 — CID 159248360

About 1'-acetyl-1-[2-(5-chloro-1,3-thiazol-2-yl)acetyl]-N-(furan-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide

1'-acetyl-1-[2-(5-chloro-1,3-thiazol-2-yl)acetyl]-N-(furan-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide (PubChem CID 159248360) has the molecular formula C23H23ClN4O5S2 and a molecular weight of 535.05 g/mol. Its IUPAC name is 1'-acetyl-1-[2-(5-chloro-1,3-thiazol-2-yl)acetyl]-N-(furan-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide.

Molecular Properties

• Compound Name: 1'-acetyl-1-[2-(5-chloro-1,3-thiazol-2-yl)acetyl]-N-(furan-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide
• PubChem CID: 159248360
• Molecular Formula: C23H23ClN4O5S2
• Molecular Weight: 535.05 g/mol
• Exact Mass: 534.08
• IUPAC Name: 1'-acetyl-1-[2-(5-chloro-1,3-thiazol-2-yl)acetyl]-N-(furan-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide
• SMILES: CC(=O)N1CCC2(C1)CN(C(=O)Cc1ncc(Cl)s1)c1ccc(S(=O)(=O)NCc3ccco3)cc12
• InChI: InChI=1S/C23H23ClN4O5S2/c1-15(29)27-7-6-23(13-27)14-28(22(30)10-21-25-12-20(24)34-21)19-5-4-17(9-18(19)23)35(31,32)26-11-16-3-2-8-33-16/h2-5,8-9,12,26H,6-7,10-11,13-14H2,1H3
• InChIKey: KUYSEZMCCYNCSS-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 112.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.05
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1'-acetyl-1-[2-(5-chloro-1,3-thiazol-2-yl)acetyl]-N-(furan-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide?

The IUPAC name of 1'-acetyl-1-[2-(5-chloro-1,3-thiazol-2-yl)acetyl]-N-(furan-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide (CID 159248360) is 1'-acetyl-1-[2-(5-chloro-1,3-thiazol-2-yl)acetyl]-N-(furan-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide.

What is the SMILES notation for 1'-acetyl-1-[2-(5-chloro-1,3-thiazol-2-yl)acetyl]-N-(furan-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide?

The canonical SMILES for 1'-acetyl-1-[2-(5-chloro-1,3-thiazol-2-yl)acetyl]-N-(furan-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide is CC(=O)N1CCC2(C1)CN(C(=O)Cc1ncc(Cl)s1)c1ccc(S(=O)(=O)NCc3ccco3)cc12.

What is the InChIKey of 1'-acetyl-1-[2-(5-chloro-1,3-thiazol-2-yl)acetyl]-N-(furan-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide?

The InChIKey is KUYSEZMCCYNCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O5S2/c1-15(29)27-7-6-23(13-27)14-28(22(30)10-21-25-12-20(24)34-21)19-5-4-17(9-18(19)23)35(31,32)26-11-16-3-2-8-33-16/h2-5,8-9,12,26H,6-7,10-11,13-14H2,1H3.

What are the key properties of 1'-acetyl-1-[2-(5-chloro-1,3-thiazol-2-yl)acetyl]-N-(furan-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide?

1'-acetyl-1-[2-(5-chloro-1,3-thiazol-2-yl)acetyl]-N-(furan-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide has a molecular weight of 535.05 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-acetyl-1-[2-(5-chloro-1,3-thiazol-2-yl)acetyl]-N-(furan-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide is sourced from PubChem (CID 159248360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).