N-[1-(4-ethylphenyl)ethyl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C20H24N4OS3 — CID 18274599

About N-[1-(4-ethylphenyl)ethyl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-[1-(4-ethylphenyl)ethyl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 18274599) has the molecular formula C20H24N4OS3 and a molecular weight of 432.64 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[1-(4-ethylphenyl)ethyl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
• PubChem CID: 18274599
• Molecular Formula: C20H24N4OS3
• Molecular Weight: 432.64 g/mol
• Exact Mass: 432.11
• IUPAC Name: N-[1-(4-ethylphenyl)ethyl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
• SMILES: CCc1ccc(C(C)NC(=O)CSc2nnc(NCCc3cccs3)s2)cc1
• InChI: InChI=1S/C20H24N4OS3/c1-3-15-6-8-16(9-7-15)14(2)22-18(25)13-27-20-24-23-19(28-20)21-11-10-17-5-4-12-26-17/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,21,23)(H,22,25)
• InChIKey: RQYOYVBRXKFUMU-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 66.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.64
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 18274599) is N-[1-(4-ethylphenyl)ethyl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CCc1ccc(C(C)NC(=O)CSc2nnc(NCCc3cccs3)s2)cc1.

What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The InChIKey is RQYOYVBRXKFUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS3/c1-3-15-6-8-16(9-7-15)14(2)22-18(25)13-27-20-24-23-19(28-20)21-11-10-17-5-4-12-26-17/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,21,23)(H,22,25).

What are the key properties of N-[1-(4-ethylphenyl)ethyl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

N-[1-(4-ethylphenyl)ethyl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 432.64 g/mol, XLogP of 4.79, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-ethylphenyl)ethyl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 18274599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).