N-(2-methoxyphenyl)-2-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-8-carboxamide

C26H35N3O5S — CID 3829047

About N-(2-methoxyphenyl)-2-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-8-carboxamide

N-(2-methoxyphenyl)-2-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 3829047) has the molecular formula C26H35N3O5S and a molecular weight of 501.65 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

• Compound Name: N-(2-methoxyphenyl)-2-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-8-carboxamide
• PubChem CID: 3829047
• Molecular Formula: C26H35N3O5S
• Molecular Weight: 501.65 g/mol
• Exact Mass: 501.23
• IUPAC Name: N-(2-methoxyphenyl)-2-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-8-carboxamide
• SMILES: COc1ccccc1NC(=O)N1CCC2(CC1)CCN(S(=O)(=O)c1c(C)cc(OC)c(C)c1C)C2
• InChI: InChI=1S/C26H35N3O5S/c1-18-16-23(34-5)19(2)20(3)24(18)35(31,32)29-15-12-26(17-29)10-13-28(14-11-26)25(30)27-21-8-6-7-9-22(21)33-4/h6-9,16H,10-15,17H2,1-5H3,(H,27,30)
• InChIKey: ASHYMGJEDQAGCK-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.65
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-8-carboxamide?

The IUPAC name of N-(2-methoxyphenyl)-2-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-8-carboxamide (CID 3829047) is N-(2-methoxyphenyl)-2-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-8-carboxamide.

What is the SMILES notation for N-(2-methoxyphenyl)-2-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-8-carboxamide?

The canonical SMILES for N-(2-methoxyphenyl)-2-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-8-carboxamide is COc1ccccc1NC(=O)N1CCC2(CC1)CCN(S(=O)(=O)c1c(C)cc(OC)c(C)c1C)C2.

What is the InChIKey of N-(2-methoxyphenyl)-2-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-8-carboxamide?

The InChIKey is ASHYMGJEDQAGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O5S/c1-18-16-23(34-5)19(2)20(3)24(18)35(31,32)29-15-12-26(17-29)10-13-28(14-11-26)25(30)27-21-8-6-7-9-22(21)33-4/h6-9,16H,10-15,17H2,1-5H3,(H,27,30).

What are the key properties of N-(2-methoxyphenyl)-2-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-8-carboxamide?

N-(2-methoxyphenyl)-2-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 501.65 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyphenyl)-2-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 3829047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).