(3R)-3-acetamido-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-3-thiophen-2-ylpropanamide

C24H26N2O2S2 — CID 51929437

About (3R)-3-acetamido-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-3-thiophen-2-ylpropanamide

(3R)-3-acetamido-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-3-thiophen-2-ylpropanamide (PubChem CID 51929437) has the molecular formula C24H26N2O2S2 and a molecular weight of 438.62 g/mol. Its IUPAC name is (3R)-3-acetamido-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

• Compound Name: (3R)-3-acetamido-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-3-thiophen-2-ylpropanamide
• PubChem CID: 51929437
• Molecular Formula: C24H26N2O2S2
• Molecular Weight: 438.62 g/mol
• Exact Mass: 438.14
• IUPAC Name: (3R)-3-acetamido-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-3-thiophen-2-ylpropanamide
• SMILES: CC(=O)N[C@H](CC(=O)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1)c1cccs1
• InChI: InChI=1S/C24H26N2O2S2/c1-16(27)25-20(21-8-4-12-29-21)15-23(28)26-24(22-9-5-13-30-22)19-11-10-17-6-2-3-7-18(17)14-19/h4-5,8-14,20,24H,2-3,6-7,15H2,1H3,(H,25,27)(H,26,28)/t20-,24-/m1/s1
• InChIKey: DYLYDZLEIUOJMP-HYBUGGRVSA-N
• XLogP: 5.16
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.62
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-3-thiophen-2-ylpropanamide?

The IUPAC name of (3R)-3-acetamido-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-3-thiophen-2-ylpropanamide (CID 51929437) is (3R)-3-acetamido-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-3-thiophen-2-ylpropanamide.

What is the SMILES notation for (3R)-3-acetamido-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-3-thiophen-2-ylpropanamide?

The canonical SMILES for (3R)-3-acetamido-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-3-thiophen-2-ylpropanamide is CC(=O)N[C@H](CC(=O)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1)c1cccs1.

What is the InChIKey of (3R)-3-acetamido-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-3-thiophen-2-ylpropanamide?

The InChIKey is DYLYDZLEIUOJMP-HYBUGGRVSA-N. The full InChI is InChI=1S/C24H26N2O2S2/c1-16(27)25-20(21-8-4-12-29-21)15-23(28)26-24(22-9-5-13-30-22)19-11-10-17-6-2-3-7-18(17)14-19/h4-5,8-14,20,24H,2-3,6-7,15H2,1H3,(H,25,27)(H,26,28)/t20-,24-/m1/s1.

What are the key properties of (3R)-3-acetamido-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-3-thiophen-2-ylpropanamide?

(3R)-3-acetamido-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-3-thiophen-2-ylpropanamide has a molecular weight of 438.62 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-acetamido-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 51929437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).