8-(dimethylsulfamoyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

C18H26N4O4S — CID 91323612

About 8-(dimethylsulfamoyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

8-(dimethylsulfamoyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (PubChem CID 91323612) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is 8-(dimethylsulfamoyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.

Molecular Properties

• Compound Name: 8-(dimethylsulfamoyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
• PubChem CID: 91323612
• Molecular Formula: C18H26N4O4S
• Molecular Weight: 394.50 g/mol
• Exact Mass: 394.17
• IUPAC Name: 8-(dimethylsulfamoyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
• SMILES: CN(C)S(=O)(=O)N1CCC2(C=C(C(=O)NCCc3ccccc3)NO2)CC1
• InChI: InChI=1S/C18H26N4O4S/c1-21(2)27(24,25)22-12-9-18(10-13-22)14-16(20-26-18)17(23)19-11-8-15-6-4-3-5-7-15/h3-7,14,20H,8-13H2,1-2H3,(H,19,23)
• InChIKey: JILPWJVCWOAYFS-UHFFFAOYSA-N
• XLogP: 0.41
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.50
LogP ≤ 5	0.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylsulfamoyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?

The IUPAC name of 8-(dimethylsulfamoyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (CID 91323612) is 8-(dimethylsulfamoyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.

What is the SMILES notation for 8-(dimethylsulfamoyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?

The canonical SMILES for 8-(dimethylsulfamoyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is CN(C)S(=O)(=O)N1CCC2(C=C(C(=O)NCCc3ccccc3)NO2)CC1.

What is the InChIKey of 8-(dimethylsulfamoyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?

The InChIKey is JILPWJVCWOAYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-21(2)27(24,25)22-12-9-18(10-13-22)14-16(20-26-18)17(23)19-11-8-15-6-4-3-5-7-15/h3-7,14,20H,8-13H2,1-2H3,(H,19,23).

What are the key properties of 8-(dimethylsulfamoyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?

8-(dimethylsulfamoyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(dimethylsulfamoyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is sourced from PubChem (CID 91323612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).