2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide

C27H34N4O4S — CID 4104485

About 2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide

2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide (PubChem CID 4104485) has the molecular formula C27H34N4O4S and a molecular weight of 510.66 g/mol. Its IUPAC name is 2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide.

Molecular Properties

• Compound Name: 2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide
• PubChem CID: 4104485
• Molecular Formula: C27H34N4O4S
• Molecular Weight: 510.66 g/mol
• Exact Mass: 510.23
• IUPAC Name: 2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide
• SMILES: O=C(CN1CN(c2ccccc2)C2(CCN(S(=O)(=O)c3ccccc3)CC2)C1=O)NC1CCCCC1
• InChI: InChI=1S/C27H34N4O4S/c32-25(28-22-10-4-1-5-11-22)20-29-21-31(23-12-6-2-7-13-23)27(26(29)33)16-18-30(19-17-27)36(34,35)24-14-8-3-9-15-24/h2-3,6-9,12-15,22H,1,4-5,10-11,16-21H2,(H,28,32)
• InChIKey: YZWQKUYUGGZZQU-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 90.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.66
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide?

The IUPAC name of 2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide (CID 4104485) is 2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide.

What is the SMILES notation for 2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide?

The canonical SMILES for 2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide is O=C(CN1CN(c2ccccc2)C2(CCN(S(=O)(=O)c3ccccc3)CC2)C1=O)NC1CCCCC1.

What is the InChIKey of 2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide?

The InChIKey is YZWQKUYUGGZZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4S/c32-25(28-22-10-4-1-5-11-22)20-29-21-31(23-12-6-2-7-13-23)27(26(29)33)16-18-30(19-17-27)36(34,35)24-14-8-3-9-15-24/h2-3,6-9,12-15,22H,1,4-5,10-11,16-21H2,(H,28,32).

What are the key properties of 2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide?

2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide has a molecular weight of 510.66 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 4104485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).