4-(3-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide

C25H34N2O3S — CID 133191616

About 4-(3-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide

4-(3-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide (PubChem CID 133191616) has the molecular formula C25H34N2O3S and a molecular weight of 442.63 g/mol. Its IUPAC name is 4-(3-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide.

Molecular Properties

• Compound Name: 4-(3-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide
• PubChem CID: 133191616
• Molecular Formula: C25H34N2O3S
• Molecular Weight: 442.63 g/mol
• Exact Mass: 442.23
• IUPAC Name: 4-(3-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide
• SMILES: CCC(NC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C25H34N2O3S/c1-4-24(22-15-14-20-10-5-6-11-21(20)18-22)26-25(28)13-8-16-27(31(3,29)30)23-12-7-9-19(2)17-23/h7,9,12,14-15,17-18,24H,4-6,8,10-11,13,16H2,1-3H3,(H,26,28)
• InChIKey: BBKNQEJGFJLGOG-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.63
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide?

The IUPAC name of 4-(3-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide (CID 133191616) is 4-(3-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide.

What is the SMILES notation for 4-(3-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide?

The canonical SMILES for 4-(3-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide is CCC(NC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2.

What is the InChIKey of 4-(3-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide?

The InChIKey is BBKNQEJGFJLGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3S/c1-4-24(22-15-14-20-10-5-6-11-21(20)18-22)26-25(28)13-8-16-27(31(3,29)30)23-12-7-9-19(2)17-23/h7,9,12,14-15,17-18,24H,4-6,8,10-11,13,16H2,1-3H3,(H,26,28).

What are the key properties of 4-(3-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide?

4-(3-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide has a molecular weight of 442.63 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide is sourced from PubChem (CID 133191616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).