2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide

C29H34N2O3S — CID 133191104

About 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide

2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide (PubChem CID 133191104) has the molecular formula C29H34N2O3S and a molecular weight of 490.67 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide.

Molecular Properties

• Compound Name: 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
• PubChem CID: 133191104
• Molecular Formula: C29H34N2O3S
• Molecular Weight: 490.67 g/mol
• Exact Mass: 490.23
• IUPAC Name: 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
• SMILES: CCC(NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C29H34N2O3S/c1-4-27(25-16-15-23-10-8-9-11-24(23)19-25)30-29(32)20-31(28-17-14-21(2)18-22(28)3)35(33,34)26-12-6-5-7-13-26/h5-7,12-19,27H,4,8-11,20H2,1-3H3,(H,30,32)
• InChIKey: VKDGPEJVPFKSCY-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.67
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?

The IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide (CID 133191104) is 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide.

What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?

The canonical SMILES for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide is CCC(NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2.

What is the InChIKey of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?

The InChIKey is VKDGPEJVPFKSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O3S/c1-4-27(25-16-15-23-10-8-9-11-24(23)19-25)30-29(32)20-31(28-17-14-21(2)18-22(28)3)35(33,34)26-12-6-5-7-13-26/h5-7,12-19,27H,4,8-11,20H2,1-3H3,(H,30,32).

What are the key properties of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?

2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide has a molecular weight of 490.67 g/mol, XLogP of 5.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide is sourced from PubChem (CID 133191104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).