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

C₂₀H₂₅ClN₄O₄S₂ — CID 151171230

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

1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-N-methylspiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide (PubChem CID 151171230) has the molecular formula C₂₀H₂₅ClN₄O₄S₂ and a molecular weight of 485.03 g/mol. Its IUPAC name is 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-N-methylspiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide.

Molecular Properties

• Compound Name: 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-N-methylspiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide
• PubChem CID: 151171230
• Molecular Formula: C₂₀H₂₅ClN₄O₄S₂
• Molecular Weight: 485.03 g/mol
• Exact Mass: 484.10
• IUPAC Name: 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-N-methylspiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide
• SMILES: COCCN(C)S(=O)(=O)c1ccc2c(c1)C1(CCN(C(C)=O)C1)CN2c1ncc(Cl)s1
• InChI: InChI=1S/C20H25ClN4O4S2/c1-14(26)24-7-6-20(12-24)13-25(19-22-11-18(21)30-19)17-5-4-15(10-16(17)20)31(27,28)23(2)8-9-29-3/h4-5,10-11H,6-9,12-13H2,1-3H3
• InChIKey: NCHYBNFGNHJIFK-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 83.05 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.03
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-N-methylspiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide (CID 151171230) is 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-N-methylspiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide.

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

The canonical SMILES for 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-N-methylspiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide is COCCN(C)S(=O)(=O)c1ccc2c(c1)C1(CCN(C(C)=O)C1)CN2c1ncc(Cl)s1.

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

The InChIKey is NCHYBNFGNHJIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O4S2/c1-14(26)24-7-6-20(12-24)13-25(19-22-11-18(21)30-19)17-5-4-15(10-16(17)20)31(27,28)23(2)8-9-29-3/h4-5,10-11H,6-9,12-13H2,1-3H3.

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

1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-N-methylspiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide has a molecular weight of 485.03 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-N-methylspiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide is sourced from PubChem (CID 151171230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151171230 — identifiers, structure, computed properties (public domain)

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