5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide

C31H33NO2S — CID 21046280

About 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide

5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide (PubChem CID 21046280) has the molecular formula C31H33NO2S and a molecular weight of 483.68 g/mol. Its IUPAC name is 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
• PubChem CID: 21046280
• Molecular Formula: C31H33NO2S
• Molecular Weight: 483.68 g/mol
• Exact Mass: 483.22
• IUPAC Name: 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
• SMILES: COc1cc2c(cc1-c1ccc(C(=O)NCc3cccc4ccccc34)s1)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C31H33NO2S/c1-30(2)15-16-31(3,4)25-18-26(34-5)23(17-24(25)30)27-13-14-28(35-27)29(33)32-19-21-11-8-10-20-9-6-7-12-22(20)21/h6-14,17-18H,15-16,19H2,1-5H3,(H,32,33)
• InChIKey: DOXMAAGIPPSEDS-UHFFFAOYSA-N
• XLogP: 7.86
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.68
LogP ≤ 5	7.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide?

The IUPAC name of 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide (CID 21046280) is 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide.

What is the SMILES notation for 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide?

The canonical SMILES for 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide is COc1cc2c(cc1-c1ccc(C(=O)NCc3cccc4ccccc34)s1)C(C)(C)CCC2(C)C.

What is the InChIKey of 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide?

The InChIKey is DOXMAAGIPPSEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO2S/c1-30(2)15-16-31(3,4)25-18-26(34-5)23(17-24(25)30)27-13-14-28(35-27)29(33)32-19-21-11-8-10-20-9-6-7-12-22(20)21/h6-14,17-18H,15-16,19H2,1-5H3,(H,32,33).

What are the key properties of 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide?

5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide has a molecular weight of 483.68 g/mol, XLogP of 7.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 21046280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).