N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C26H28N2O2S2 — CID 24553086

About N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 24553086) has the molecular formula C26H28N2O2S2 and a molecular weight of 464.66 g/mol. Its IUPAC name is N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
• PubChem CID: 24553086
• Molecular Formula: C26H28N2O2S2
• Molecular Weight: 464.66 g/mol
• Exact Mass: 464.16
• IUPAC Name: N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
• SMILES: O=C(NC(c1ccc2c(c1)CCCC2)c1cccs1)C1CCN(C(=O)c2cccs2)CC1
• InChI: InChI=1S/C26H28N2O2S2/c29-25(19-11-13-28(14-12-19)26(30)23-8-4-16-32-23)27-24(22-7-3-15-31-22)21-10-9-18-5-1-2-6-20(18)17-21/h3-4,7-10,15-17,19,24H,1-2,5-6,11-14H2,(H,27,29)
• InChIKey: URSAYEVDULEPJL-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.66
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?

The IUPAC name of N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 24553086) is N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

What is the SMILES notation for N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?

The canonical SMILES for N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is O=C(NC(c1ccc2c(c1)CCCC2)c1cccs1)C1CCN(C(=O)c2cccs2)CC1.

What is the InChIKey of N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?

The InChIKey is URSAYEVDULEPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2S2/c29-25(19-11-13-28(14-12-19)26(30)23-8-4-16-32-23)27-24(22-7-3-15-31-22)21-10-9-18-5-1-2-6-20(18)17-21/h3-4,7-10,15-17,19,24H,1-2,5-6,11-14H2,(H,27,29).

What are the key properties of N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?

N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 464.66 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 24553086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).