2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethylideneamino)acetamide

C28H33N3O3S — CID 5182080

About 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethylideneamino)acetamide

2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethylideneamino)acetamide (PubChem CID 5182080) has the molecular formula C28H33N3O3S and a molecular weight of 491.66 g/mol. Its IUPAC name is 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethylideneamino)acetamide.

Molecular Properties

• Compound Name: 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethylideneamino)acetamide
• PubChem CID: 5182080
• Molecular Formula: C28H33N3O3S
• Molecular Weight: 491.66 g/mol
• Exact Mass: 491.22
• IUPAC Name: 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethylideneamino)acetamide
• SMILES: Cc1cc(C)c(S(=O)(=O)N(CC(=O)NN=Cc2cccc3ccccc23)C2CCCCC2)c(C)c1
• InChI: InChI=1S/C28H33N3O3S/c1-20-16-21(2)28(22(3)17-20)35(33,34)31(25-13-5-4-6-14-25)19-27(32)30-29-18-24-12-9-11-23-10-7-8-15-26(23)24/h7-12,15-18,25H,4-6,13-14,19H2,1-3H3,(H,30,32)
• InChIKey: YTLZEJDXOJAJGC-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 78.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.66
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethylideneamino)acetamide?

The IUPAC name of 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethylideneamino)acetamide (CID 5182080) is 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethylideneamino)acetamide.

What is the SMILES notation for 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethylideneamino)acetamide?

The canonical SMILES for 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethylideneamino)acetamide is Cc1cc(C)c(S(=O)(=O)N(CC(=O)NN=Cc2cccc3ccccc23)C2CCCCC2)c(C)c1.

What is the InChIKey of 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethylideneamino)acetamide?

The InChIKey is YTLZEJDXOJAJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3S/c1-20-16-21(2)28(22(3)17-20)35(33,34)31(25-13-5-4-6-14-25)19-27(32)30-29-18-24-12-9-11-23-10-7-8-15-26(23)24/h7-12,15-18,25H,4-6,13-14,19H2,1-3H3,(H,30,32).

What are the key properties of 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethylideneamino)acetamide?

2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethylideneamino)acetamide has a molecular weight of 491.66 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethylideneamino)acetamide is sourced from PubChem (CID 5182080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).