N-[2-[4-naphthalen-1-yl-5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide

C28H24N4O2S — CID 3545942

About N-[2-[4-naphthalen-1-yl-5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide

N-[2-[4-naphthalen-1-yl-5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide (PubChem CID 3545942) has the molecular formula C28H24N4O2S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-[2-[4-naphthalen-1-yl-5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[4-naphthalen-1-yl-5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide
• PubChem CID: 3545942
• Molecular Formula: C28H24N4O2S
• Molecular Weight: 480.59 g/mol
• Exact Mass: 480.16
• IUPAC Name: N-[2-[4-naphthalen-1-yl-5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide
• SMILES: CC(=O)NCCc1nnc(SCC(=O)c2ccc3ccccc3c2)n1-c1cccc2ccccc12
• InChI: InChI=1S/C28H24N4O2S/c1-19(33)29-16-15-27-30-31-28(32(27)25-12-6-10-21-8-4-5-11-24(21)25)35-18-26(34)23-14-13-20-7-2-3-9-22(20)17-23/h2-14,17H,15-16,18H2,1H3,(H,29,33)
• InChIKey: OIBISEPSDMEWNL-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.59
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-naphthalen-1-yl-5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide?

The IUPAC name of N-[2-[4-naphthalen-1-yl-5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide (CID 3545942) is N-[2-[4-naphthalen-1-yl-5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide.

What is the SMILES notation for N-[2-[4-naphthalen-1-yl-5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide?

The canonical SMILES for N-[2-[4-naphthalen-1-yl-5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide is CC(=O)NCCc1nnc(SCC(=O)c2ccc3ccccc3c2)n1-c1cccc2ccccc12.

What is the InChIKey of N-[2-[4-naphthalen-1-yl-5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide?

The InChIKey is OIBISEPSDMEWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2S/c1-19(33)29-16-15-27-30-31-28(32(27)25-12-6-10-21-8-4-5-11-24(21)25)35-18-26(34)23-14-13-20-7-2-3-9-22(20)17-23/h2-14,17H,15-16,18H2,1H3,(H,29,33).

What are the key properties of N-[2-[4-naphthalen-1-yl-5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide?

N-[2-[4-naphthalen-1-yl-5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide has a molecular weight of 480.59 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-naphthalen-1-yl-5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide is sourced from PubChem (CID 3545942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).