[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

C26H35ClN4O7S — CID 4844942

About [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (PubChem CID 4844942) has the molecular formula C26H35ClN4O7S and a molecular weight of 583.11 g/mol. Its IUPAC name is [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.

Molecular Properties

• Compound Name: [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
• PubChem CID: 4844942
• Molecular Formula: C26H35ClN4O7S
• Molecular Weight: 583.11 g/mol
• Exact Mass: 582.19
• IUPAC Name: [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
• SMILES: CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)OCC(=O)Nc1cc(S(=O)(=O)N3CCCCC3)ccc1Cl)C2=O
• InChI: InChI=1S/C26H35ClN4O7S/c1-17-12-25(2,3)16-26(13-17)23(34)31(24(35)29-26)14-22(33)38-15-21(32)28-20-11-18(7-8-19(20)27)39(36,37)30-9-5-4-6-10-30/h7-8,11,17H,4-6,9-10,12-16H2,1-3H3,(H,28,32)(H,29,35)
• InChIKey: KSMBZZBMFJTRQJ-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 142.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.11
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?

The IUPAC name of [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (CID 4844942) is [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.

What is the SMILES notation for [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?

The canonical SMILES for [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)OCC(=O)Nc1cc(S(=O)(=O)N3CCCCC3)ccc1Cl)C2=O.

What is the InChIKey of [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?

The InChIKey is KSMBZZBMFJTRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN4O7S/c1-17-12-25(2,3)16-26(13-17)23(34)31(24(35)29-26)14-22(33)38-15-21(32)28-20-11-18(7-8-19(20)27)39(36,37)30-9-5-4-6-10-30/h7-8,11,17H,4-6,9-10,12-16H2,1-3H3,(H,28,32)(H,29,35).

What are the key properties of [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?

[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate has a molecular weight of 583.11 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is sourced from PubChem (CID 4844942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).